 Entering Gaussian System, Link 0=g16
 Input=22_phenylethanamine_conformer03_STD_wB97XD_def2SVPD.in
 Output=22_phenylethanamine_conformer03_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
            -H     0
            S    3   1.00
                 13.0107010              0.19682158D-01
                  1.9622572              0.13796524
                  0.44453796             0.47831935
            S    1   1.00
                  0.12194962             1.0000000
            P    1   1.00
                  0.8000000              1.0000000
            P    1   1.00
                  0.11704099050          1.0000000
            ****
            -He     0
            S    3   1.00
                 38.354936737            0.23814288905D-01
                  5.7689081479           0.15490906777
                  1.2399407035           0.46998096633
            S    1   1.00
                  0.29757815953          1.0000000
            P    1   1.00
                  1.0000000              1.0000000
            P    1   1.00
                  0.22039119441          1.0000000
            ****
            -Li     0
            S    5   1.00
                266.27785516             0.64920150325D-02
                 40.069783447            0.47747863215D-01
                  9.0559944389           0.20268796111
                  2.4503009051           0.48606574817
                  0.72209571855          0.43626977955
            S    1   1.00
                  0.52810884721D-01      1.0000000
            S    1   1.00
                  0.20960948798D-01      1.0000000
            P    2   1.00
                  1.4500000              0.2586000
                  0.3000000              1.0000000
            P    1   1.00
                  0.0820000              1.0000000
            P    1   1.00
                  0.26347662457D-01      1.0000000
            ****
            -Be     0
            S    5   1.00
                515.18616125             0.55615307983D-02
                 77.511037595            0.41190068062D-01
                 17.552481693            0.17913378108
                  4.8028940596           0.44736716455
                  1.4516214316           0.42009581920
            S    1   1.00
                  0.13281633620          1.0000000
            S    1   1.00
                  0.45837372213D-01      1.0000000
            P    3   1.00
                  3.6316917145          -0.29033998305D-01
                  0.71695694366         -0.16877854032
                  0.19541932860         -0.51403419628
            P    1   1.00
                  0.60515465890D-01      1.0000000
            P    1   1.00
                  0.30181880660D-01      1.0000000
            ****
            -B     0
            S    5   1.00
                839.31830086            -0.55929201074D-02
                126.26464843            -0.41565520771D-01
                 28.620600763           -0.18299816983
                  7.8793722710          -0.46540391866
                  2.4088857172          -0.44173884791
            S    1   1.00
                  0.25105109036          1.0000000
            S    1   1.00
                  0.83648866069D-01      1.0000000
            S    1   1.00
                  0.42351565332D-01      1.0000000
            P    3   1.00
                  6.0332223619          -0.35603672456D-01
                  1.2499157866          -0.19895775769
                  0.33871676350         -0.50850202618
            P    1   1.00
                  0.96415632351D-01      1.0000000
            D    1   1.00
                  0.5000000              1.0000000
            D    1   1.00
                  0.74392443101D-01      1.0000000
            ****
            -C     0
            S    5   1.00
               1238.4016938              0.54568832082D-02
                186.29004992             0.40638409211D-01
                 42.251176346            0.18025593888
                 11.676557932            0.46315121755
                  3.5930506482           0.44087173314
            S    1   1.00
                  0.40245147363          1.0000000
            S    1   1.00
                  0.13090182668          1.0000000
            S    1   1.00
                  0.67053540256D-01      1.0000000
            P    3   1.00
                  9.4680970621           0.38387871728D-01
                  2.0103545142           0.21117025112
                  0.54771004707          0.51328172114
            P    1   1.00
                  0.15268613795          1.0000000
            D    1   1.00
                  0.8000000              1.0000000
            D    1   1.00
                  0.11713185140          1.0000000
            ****
            -N     0
            S    5   1.00
               1712.8415853             -0.53934125305D-02
                257.64812677            -0.40221581118D-01
                 58.458245853           -0.17931144990
                 16.198367905           -0.46376317823
                  5.0052600809          -0.44171422662
            S    1   1.00
                  0.58731856571          1.0000000
            S    1   1.00
                  0.18764592253          1.0000000
            S    1   1.00
                  0.96171241529D-01      1.0000000
            P    3   1.00
                 13.571470233           -0.40072398852D-01
                  2.9257372874          -0.21807045028
                  0.79927750754         -0.51294466049
            P    1   1.00
                  0.21954348034          1.0000000
            D    1   1.00
                  1.0000000              1.0000000
            D    1   1.00
                  0.16697708112          1.0000000
            ****
            -O     0
            S    5   1.00
               2266.1767785             -0.53431809926D-02
                340.87010191            -0.39890039230D-01
                 77.363135167           -0.17853911985
                 21.479644940           -0.46427684959
                  6.6589433124          -0.44309745172
            S    1   1.00
                  0.80975975668          1.0000000
            S    1   1.00
                  0.25530772234          1.0000000
            S    1   1.00
                  0.76572453250D-01      1.0000000
            P    3   1.00
                 17.721504317            0.43394573193D-01
                  3.8635505440           0.23094120765
                  1.0480920883           0.51375311064
            P    1   1.00
                  0.27641544411          1.0000000
            P    1   1.00
                  0.69002276350D-01      1.0000000
            D    1   1.00
                  1.2000000              1.0000000
            D    1   1.00
                  0.17992024323          1.0000000
            ****
            -F     0
            S    5   1.00
               2894.8325990             -0.53408255515D-02
                435.41939120            -0.39904258866D-01
                 98.843328866           -0.17912768038
                 27.485198001           -0.46758090825
                  8.5405498171          -0.44653131020
            S    1   1.00
                  1.0654578038           1.0000000
            S    1   1.00
                  0.33247346748          1.0000000
            S    1   1.00
                  0.98097752264D-01      1.0000000
            P    3   1.00
                 22.696633924           -0.45212874436D-01
                  4.9872339257          -0.23754317067
                  1.3491613954          -0.51287353587
            P    1   1.00
                  0.34829881977          1.0000000
            P    1   1.00
                  0.83372148304D-01      1.0000000
            D    1   1.00
                  1.4000000              1.0000000
            D    1   1.00
                  0.22301361948          1.0000000
            ****
            -Ne     0
            S    5   1.00
               3598.9736625             -0.53259297003D-02
                541.32073112            -0.39817417969D-01
                122.90450062            -0.17914358188
                 34.216617022           -0.46893582977
                 10.650584124           -0.44782537577
            S    1   1.00
                  1.3545953960           1.0000000
            S    1   1.00
                  0.41919362639          1.0000000
            S    1   1.00
                  0.12055043545          1.0000000
            P    3   1.00
                 28.424053785           -0.46031944795D-01
                  6.2822510953          -0.23993183041
                  1.6978715079          -0.50871724964
            P    1   1.00
                  0.43300700172          1.0000000
            P    1   1.00
                  0.10141942051          1.0000000
            D    1   1.00
                  1.8880000              1.0000000
            D    1   1.00
                  0.28026803041          1.0000000
            ****
            -Na     0
            S    5   1.00
               4098.2003908             -0.58535911879D-02
                616.49374031            -0.43647161872D-01
                139.96644001            -0.19431465884
                 39.073441051           -0.48685065731
                 11.929847205           -0.41881705137
            S    3   1.00
                 20.659966030            0.85949689854D-01
                  1.9838860978          -0.56359144041
                  0.64836323942         -0.51954009048
            S    1   1.00
                  0.52443967404D-01      1.0000000
            S    1   1.00
                  0.28048160742D-01      1.0000000
            P    5   1.00
                 75.401862017            0.154353625324D-01
                 17.274818978            0.997382931840D-01
                  5.1842347425           0.312095939659
                  1.6601211973           0.492956748074
                  0.51232528958          0.324203983180
            P    1   1.00
                  0.0520000              1.0000000
            P    1   1.00
                  0.19853008514D-01      1.0000000
            D    1   1.00
                  0.1310000              1.0000000
            ****
            -Mg     0
            S    5   1.00
               4953.8339196             -0.57778967498D-02
                745.18044154            -0.43124761082D-01
                169.21604972            -0.19268216987
                 47.300672019           -0.48641439116
                 14.461336973           -0.42550894077
            S    3   1.00
                 24.768174789            0.87956969984D-01
                  2.4940945349          -0.55165058128
                  0.87807584533         -0.53443294833
            S    1   1.00
                  0.87212782497D-01      1.0000000
            S    1   1.00
                  0.33599293780D-01      1.0000000
            P    5   1.00
                 98.053010494           -0.14480564601D-01
                 22.586932277           -0.95495750787D-01
                  6.8391509842          -0.30787672651
                  2.2332843818          -0.49936292886
                  0.71606599387         -0.31503476213
            P    1   1.00
                  0.18914796195          1.0000000
            P    1   1.00
                  0.53768755187D-01      1.0000000
            P    1   1.00
                  0.23963578287D-01      1.0000000
            D    1   1.00
                  0.1010000              1.0000000
            ****
            -Al     0
            S    5   1.00
               5887.5727030              0.13483347987D-02
                885.61225996             0.10071576809D-01
                201.13604899             0.45132454056D-01
                 56.284974674            0.11461268043
                 17.229551243            0.10159608943
            S    3   1.00
                 29.340249922            0.69347454208D-01
                  3.0439630420          -0.42528117679
                  1.1285539518          -0.41449832210
            S    1   1.00
                  0.14234175160          1.0000000
            S    1   1.00
                  0.54400192313D-01      1.0000000
            S    1   1.00
                  0.32535359511D-01      1.0000000
            P    5   1.00
                145.11918809             0.63963373134D-02
                 33.717894833            0.44189359965D-01
                 10.369863083            0.15581575993
                  3.5135616036           0.28635286951
                  1.1980050273           0.22921423248
            P    1   1.00
                  0.26583005913          1.0000000
            P    1   1.00
                  0.71003361994D-01      1.0000000
            D    1   1.00
                  0.3000000              1.0000000
            D    1   1.00
                  0.53071685831D-01      1.0000000
            ****
            -Si     0
            S    5   1.00
               6903.7118686              0.13373962995D-02
               1038.4346419              0.99966546241D-02
                235.87581480             0.44910165101D-01
                 66.069385169            0.11463638540
                 20.247945761            0.10280063858
            S    3   1.00
                 34.353481730            0.70837285010D-01
                  3.6370788192          -0.43028836252
                  1.4002048599          -0.41382774969
            S    1   1.00
                  0.20484414805          1.0000000
            S    1   1.00
                  0.77994095468D-01      1.0000000
            S    1   1.00
                  0.46834778282D-01      1.0000000
            P    5   1.00
                179.83907373             0.61916656462D-02
                 41.907258846            0.43399431982D-01
                 12.955294367            0.15632019351
                  4.4383267393           0.29419996982
                  1.5462247904           0.23536823814
            P    1   1.00
                  0.35607612302          1.0000000
            P    1   1.00
                  0.10008513762          1.0000000
            D    1   1.00
                  0.3500000              1.0000000
            D    1   1.00
                  0.74117707708D-01      1.0000000
            ****
            -P     0
            S    5   1.00
               8002.4795106              0.57503489302D-02
               1203.6813590              0.43007628959D-01
                273.44227031             0.19363986252
                 76.655541517            0.49651693399
                 23.516927435            0.44983262479
            S    3   1.00
                 39.791683439            0.95188129789D-01
                  4.2770343323          -0.57649840368
                  1.6940256888          -0.54239583865
            S    1   1.00
                  0.27567674644          1.0000000
            S    1   1.00
                  0.10495590099          1.0000000
            S    1   1.00
                  0.64309734755D-01      1.0000000
            P    5   1.00
                219.50755823             0.92100565257D-02
                 51.274155030            0.65409765745D-01
                 15.921595892            0.24033730279
                  5.5069913481           0.46318321788
                  1.9537719426           0.37392563382
            P    1   1.00
                  0.47803397932          1.0000000
            P    1   1.00
                  0.13657952621          1.0000000
            D    1   1.00
                  0.4500000              1.0000000
            D    1   1.00
                  0.99587311089D-01      1.0000000
            ****
            -S     0
            S    5   1.00
               9184.9303010             -0.22294387756D-02
               1381.5105503             -0.16683029937D-01
                313.87147580            -0.75262436116D-01
                 88.053870623           -0.19376827038
                 27.039914905           -0.17718020803
            S    3   1.00
                 45.648731303           -0.10736062573
                  4.9664522326           0.65066293018
                  2.0116242047           0.59712155354
            S    1   1.00
                  0.35661077013          1.0000000
            S    1   1.00
                  0.13507221477          1.0000000
            S    1   1.00
                  0.44999823506D-01      1.0000000
            P    5   1.00
                261.98233439            -0.92729929822D-02
                 61.306894736           -0.66547669241D-01
                 19.103729887           -0.24828595903
                  6.6567720378          -0.48703847402
                  2.3959635161          -0.39337850312
            P    1   1.00
                  0.61776161679          1.0000000
            P    1   1.00
                  0.16993376871          1.0000000
            P    1   1.00
                  0.41706793676D-01      1.0000000
            D    1   1.00
                  0.5500000              1.0000000
            D    1   1.00
                  0.10172853717          1.0000000
            ****
            -Cl     0
            S    5   1.00
              10449.8275660              0.19708362484D-02
               1571.7365221              0.14754727977D-01
                357.12065523             0.66679112875D-01
                100.25185935             0.17228924084
                 30.812727554            0.15883786100
            S    3   1.00
                 51.923789434           -0.10009298909
                  5.7045760975           0.60841752753
                  2.3508376809           0.54352153355
            S    1   1.00
                  0.44605124672          1.0000000
            S    1   1.00
                  0.16848856190          1.0000000
            S    1   1.00
                  0.55344229413D-01      1.0000000
            P    5   1.00
                307.66790569            -0.87801484118D-02
                 72.102015515           -0.63563355471D-01
                 22.532680262           -0.24016428276
                  7.8991765444          -0.47798866557
                  2.8767268321          -0.38515850005
            P    1   1.00
                  0.77459363955          1.0000000
            P    1   1.00
                  0.21037699698          1.0000000
            P    1   1.00
                  0.50046271086D-01      1.0000000
            D    1   1.00
                  0.6500000              1.0000000
            D    1   1.00
                  0.12284803390          1.0000000
            ****
            -Ar     0
            S    5   1.00
              11797.1197650              0.20214479973D-02
               1774.3522753              0.15139852688D-01
                403.18875733             0.68525400873D-01
                113.24933999             0.17762929207
                 34.835298193            0.16496495001
            S    3   1.00
                 58.614775042           -0.10343394000
                  6.4922045078           0.63133365899
                  2.7117014403           0.54887572301
            S    1   1.00
                  0.54412974538          1.0000000
            S    1   1.00
                  0.20517411136          1.0000000
            S    1   1.00
                  0.66442487045D-01      1.0000000
            P    5   1.00
                356.28707256            -0.87321783271D-02
                 83.593132866           -0.63680317444D-01
                 26.186704029           -0.24311906886
                  9.2257275925          -0.48956069653
                  3.3922754954          -0.39229190040
            P    1   1.00
                  0.94740534010          1.0000000
            P    1   1.00
                  0.25659135062          1.0000000
            P    1   1.00
                  0.59491455142D-01      1.0000000
            D    1   1.00
                  0.6960000              1.0000000
            D    1   1.00
                  0.14309493859          1.0000000
            ****
            -K     0
            S    6   1.00
              31478.7467640              0.39838653994D-02
               4726.8876066              0.30501759762D-01
               1075.4345353              0.15073752622
                303.39811023             0.51912939801
                 98.327112831            1.0366957005
                 33.636222177            0.76398963199
            S    3   1.00
                 65.639209962           -0.28242617106
                  7.3162592218           1.6914935860
                  2.8902580135           1.2965331953
            S    3   1.00
                  4.5459748965          -0.76343555273D-02
                  0.70404124062          0.25635718960D-01
                  0.28266888959          0.16606859208D-01
            S    1   1.00
                  0.29058164020D-01      1.0000000
            S    1   1.00
                  0.12111638157D-01      1.0000000
            P    5   1.00
                361.22492154             0.20906479823D-01
                 84.670222166            0.15043641740
                 26.469088236            0.55440061077
                  9.2658077615           1.0409009991
                  3.3423388293           0.67825341194
            P    3   1.00
                  1.5100876104           0.75248191146
                  0.56568375163          1.3708585031
                  0.20817008495          0.66047633079
            P    1   1.00
                  0.0417370              1.0000000
            P    1   1.00
                  0.16603217986D-01      1.0000000
            D    1   1.00
                  0.3530000              1.0000000
            D    1   1.00
                  0.0980000              1.0000000
            ****
            -Ca     0
            S    6   1.00
              35138.7139290              0.39482520740D-02
               5276.4111348              0.30234243552D-01
               1200.4692589              0.14952019681
                338.71810542             0.51597345713
                109.85385922             1.0339510296
                 37.608880299            0.76937933526
            S    3   1.00
                 73.107977555           -0.28268525011
                  8.2407705688           1.6796092142
                  3.2959812993           1.2803766016
            S    3   1.00
                  5.2341800914          -0.76868604561D-02
                  0.84187220515          0.25382375978D-01
                  0.36510294029          0.16512171511D-01
            S    1   1.00
                  0.51222402884D-01      1.0000000
            S    1   1.00
                  0.19825111408D-01      1.0000000
            P    5   1.00
                413.11313893             0.20327135354D-01
                 96.935786224            0.14730276362
                 30.372154659            0.54887167322
                 10.684776830            1.0440659818
                  3.8821258350           0.68653490684
            P    3   1.00
                  1.7993016295           0.75410246871
                  0.69189056530          1.3409296599
                  0.26364024096          0.56391989435
            P    1   1.00
                  0.0749790              1.0000000
            P    1   1.00
                  0.23809355789D-01      1.0000000
            D    3   1.00
                  5.4979093879           0.73770011433D-01
                  1.3177128032           0.26052853169
                  0.32188682649          0.45233836380
            D    1   1.00
                  0.70528614919D-01      1.0000000
            ****
            -Sc     0
            S    6   1.00
              38956.0818040              0.39293205858D-02
               5849.5733637              0.30093221229D-01
               1330.8813154              0.14890370950
                375.55534165             0.51464282906
                121.87261370             1.0337708070
                 41.760243729            0.77436851627
            S    3   1.00
                 81.060633953           -0.28318552316
                  9.2059823972           1.6770806984
                  3.7063215732           1.2594733678
            S    3   1.00
                  5.9888909988          -0.77821367493D-02
                  0.97363432378          0.25499692745D-01
                  0.42041019223          0.16191560820D-01
            S    1   1.00
                  0.59440551913D-01      1.0000000
            S    1   1.00
                  0.22897806303D-01      1.0000000
            P    5   1.00
                466.31481262             0.19984300385D-01
                109.51217097             0.14561043072
                 34.375921827            0.54687466223
                 12.142096955            1.0479006012
                  4.4336767669           0.68894890327
            P    3   1.00
                  2.0971291866           0.75619214724
                  0.80977606956          1.3178212235
                  0.30834046588          0.54312268173
            P    1   1.00
                  0.0897480              1.0000000
            P    1   1.00
                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
                 19.888520061           -0.22857227762
                  3.3668473803           0.73591359951
                  1.5249277839           0.44330199577
            S    1   1.00
                  0.29630037912          1.0000000
            S    1   1.00
                  0.11009288974          1.0000000
            S    1   1.00
                  0.42167294728D-01      1.0000000
            P    5   1.00
               1455.9068120              0.88203597043D-02
                343.75101831             0.66875851967D-01
                109.29554964             0.26640578080
                 39.707711022            0.53834928422
                 14.950185232            0.36303281993
            P    3   1.00
                  8.0208962094           0.34153807025
                  3.2934649756           0.57257906583
                  1.4058602438           0.25549813222
            P    1   1.00
                  0.45076123226          1.0000000
            P    1   1.00
                  0.13353413325          1.0000000
            P    1   1.00
                  0.34396697938D-01      1.0000000
            D    4   1.00
                 94.494024044            0.23490101098D-01
                 27.188185260            0.13747735767D+00
                  9.5091567352           0.36649929124D+00
                  3.4170516853           0.48750989884D+00
            D    1   1.00
                  1.1479590083            .27657943383D+00
            D    1   1.00
                  0.3380000              1.0000000
            D    1   1.00
                  0.82767380906D-01      1.0000000
            ****
            -Br     0
            S    6   1.00
             113286.3877600              0.14283037779D-02
              17009.6263030              0.10950417496D-01
               3870.1842567              0.54421006604D-01
               1093.0357227              0.19047907695
                356.39721797             0.39024642737
                123.12539643             0.30814432514
            S    3   1.00
                236.74084007            -0.11228065671
                 28.468661070            0.64775962312
                 11.883443722            0.44235575986
            S    3   1.00
                 21.269633312           -0.22642576323
                  3.6129226841           0.73823712008
                  1.6626648969           0.42683868694
            S    1   1.00
                  0.34823793232          1.0000000
            S    1   1.00
                  0.13019031394          1.0000000
            S    1   1.00
                  0.50966709763D-01      1.0000000
            P    5   1.00
               1560.2801881              0.87166669072D-02
                368.47859205             0.66243637420D-01
                117.22978849             0.26495610385
                 42.648909248            0.53839160587
                 16.087225096            0.36579387888
            P    3   1.00
                  8.6352810058           0.34248787366
                  3.5613665502           0.57500678213
                  1.5292626609           0.24330394172
            P    1   1.00
                  0.53064294848          1.0000000
            P    1   1.00
                  0.15702758965          1.0000000
            P    1   1.00
                  0.39636841846D-01      1.0000000
            D    4   1.00
                104.85518642             0.22650147581D-01
                 30.281143688            0.13455483230
                 10.651394267            0.36474454537
                  3.8699456233           0.49044587056
            D    1   1.00
                  1.3240876762            .27137289040
            D    1   1.00
                  0.3890000              1.0000000
            D    1   1.00
                  0.96543342393D-01      1.0000000
            ****
            -Kr     0
            S    6   1.00
             120165.6487500              0.14294234496D-02
              18042.5001690              0.10959597020D-01
               4105.1800388              0.54479647470D-01
               1159.4447248              0.19081239122
                378.13810346             0.39140445949
                130.67610045             0.31007346689
            S    3   1.00
                250.96373353            -0.11258604011
                 30.265930380            0.64816322524
                 12.668110757            0.44240238994
            S    3   1.00
                 22.697940101           -0.22391964908
                  3.8673017398           0.74060953026
                  1.8013706671           0.40803658445
            S    1   1.00
                  0.40308639136          1.0000000
            S    1   1.00
                  0.15170527749          1.0000000
            S    1   1.00
                  0.60450731670D-01      1.0000000
            P    5   1.00
               1668.5736623              0.86215009803D-02
                394.13862798             0.65665506884D-01
                125.46644854             0.26366576697
                 45.704992729            0.53867658574
                 17.270133229            0.36865167502
            P    3   1.00
                  9.2699487770           0.34346189015
                  3.8364617719           0.57784776196
                  1.6467163312           0.23075615197
            P    1   1.00
                  0.61479686489          1.0000000
            P    1   1.00
                  0.18319467414          1.0000000
            P    1   1.00
                  0.45792563991D-01      1.0000000
            D    4   1.00
                115.55868603             0.21945485333D-01
                 33.477985864            0.13211212879
                 11.834450207            0.36333306964
                  4.3408254894           0.49300484446
            D    1   1.00
                  1.5079273157            .26676858913
            D    1   1.00
                  0.4430000              1.0000000
            D    1   1.00
                  0.11235044486          1.0000000
            ****
            -Rb     0
            S    3   1.00
                  4.6687885071           0.29008526793
                  2.9442428420          -0.67740090428
                  0.58171262989          0.45712389487
            S    1   1.00
                  0.45147933555          1.0000000
            S    1   1.00
                  0.21604923532          1.0000000
            S    1   1.00
                  0.32088816526D-01      1.0000000
            S    1   1.00
                  0.13833878175D-01      1.0000000
            P    4   1.00
                  5.5234179480           0.51234729472D-01
                  3.4120149646          -0.17337025646
                  0.76899021792          0.43339683188
                  0.33088071786          0.55354332721
            P    1   1.00
                  0.13423268441          1.0000000
            P    1   1.00
                  0.20642679613D-01      1.0000000
            P    1   1.00
                  0.43243763156D-02      1.0000000
            D    1   1.00
                  0.2260000              1.0000000
            D    1   1.00
                  0.27432280711D-01      1.0000000
            ****
            -Sr     0
            S    3   1.00
                  5.9276428767           0.19698765364
                  3.0691274814          -0.64852205985
                  0.70675488028          0.62064729022
            S    1   1.00
                  0.33824024280          1.0000000
            S    1   1.00
                  0.61768869200D-01      1.0000000
            S    1   1.00
                  0.25767593093D-01      1.0000000
            P    4   1.00
                  2.4324720000          -0.37145059848
                  1.6642340000           0.37856824234
                  0.59455471858          0.59874487803
                  0.26152621998          0.35314019512
            P    1   1.00
                  0.10258814042          1.0000000
            P    1   1.00
                  0.33223404030D-01      1.0000000
            P    1   1.00
                  0.16570352270D-01      1.0000000
            D    4   1.00
                  3.6180810000          -0.75010000000D-02
                  0.99665600000          0.10809800000
                  0.39073500000          0.27854000000
                  0.12277000000          0.47731800000
            D    1   1.00
                  0.36655000000D-01       .44818300000
            ****
            -Y     0
            S    3   1.00
                  5.1329580000          -1.3864845457
                  4.2401920000           1.9459581166
                  1.2982800000           0.44182603154
            S    1   1.00
                  0.82904954347          1.0000000
            S    1   1.00
                  0.34752758911          1.0000000
            S    1   1.00
                  0.68418878574D-01      1.0000000
            S    1   1.00
                  0.27323992904D-01      1.0000000
            P    4   1.00
                  2.7279200000          -0.37249884911871
                  1.9790500000           0.32572065995957
                  0.79980886805          0.50094655502482
                  0.38409397354          0.44385929492812
            P    1   1.00
                  0.16173582264          1.0000000
            P    1   1.00
                  0.69700000000D-01      1.0000000
            P    1   1.00
                  0.0300000              1.0000000
            D    4   1.00
                  3.9030833060          -0.0098209792625124
                  1.1363234302           0.19183629664092
                  0.45617043877          0.40597788538820
                  0.17470950748          0.43861485518224
            D    1   1.00
                  0.61978796638D-01      1.0000000
            F    1   1.00
                  0.2651500              1.0000000
            ****
            -Zr     0
            S    3   1.00
                  5.8737890000           0.54255558714
                  4.2872700000          -0.95241333244
                  1.4641370000          -0.13703926411
            S    1   1.00
                  0.83727682345           .88521584390
            S    1   1.00
                  0.36849806511          1.0000000
            S    1   1.00
                  0.77806859124D-01      1.0000000
            S    1   1.00
                  0.30273088330D-01      1.0000000
            P    4   1.00
                  2.8742240000          -0.46624086918
                  2.1199010000           0.45883133891
                  0.78845821105          0.58853912475
                  0.36332579847          0.35822232244
            P    1   1.00
                  0.14951762021          1.0000000
            P    1   1.00
                  0.67000000000D-01      1.0000000
            P    1   1.00
                  0.30000000000D-01      1.0000000
            D    4   1.00
                  4.2898623878          -0.12212868080D-01
                  1.3615557498           0.19692423520
                  0.56937550689          0.42057831659
                  0.22674948677          0.42757027999
            D    1   1.00
                  0.83011031631D-01      1.0000000
            F    1   1.00
                  0.3926100              1.0000000
            ****
            -Nb     0
            S    3   1.00
                  6.5663010000          -0.94917907866
                  4.5864380000           1.5736372883
                  3.7537700000           0.36380422981
            S    1   1.00
                  0.84187717437          1.0000000
            S    1   1.00
                  0.38160666177          1.0000000
            S    1   1.00
                  0.85819911368D-01      1.0000000
            S    1   1.00
                  0.32702330370D-01      1.0000000
            P    4   1.00
                  3.0700630000          -0.51025115881
                  2.2379640000           0.53570598017
                  0.80801969671          0.63102216351
                  0.35783343432          0.30205908942
            P    1   1.00
                  0.13820085283          1.0000000
            P    1   1.00
                  0.70500000000D-01      1.0000000
            P    1   1.00
                  0.0360000              1.0000000
            D    4   1.00
                  4.6170975867          -0.13574476955D-01
                  1.5663438480           0.20374310496
                  0.66952425826          0.42997453105
                  0.27140946867          0.4179975484761
            D    1   1.00
                  0.10054426592          1.0000000
            F    1   1.00
                  0.5227000              1.0000000
            ****
            -Mo     0
            S    3   1.00
                  7.2033800000          -0.89310617237
                  5.0522950000           1.6074095756
                  2.9135330000           0.27804186088
            S    1   1.00
                  0.97858218681          1.0000000
            S    1   1.00
                  0.44369153753          1.0000000
            S    1   1.00
                  0.92150090705D-01      1.0000000
            S    1   1.00
                  0.34802246935D-01      1.0000000
            P    4   1.00
                  3.1518660000          -0.71873040872
                  2.4534820000           0.76442887870
                  0.85030192180          0.64808585640
                  0.36918237179          0.26792115234
            P    1   1.00
                  0.13490627460          1.0000000
            P    1   1.00
                  0.71800000000D-01      1.0000000
            P    1   1.00
                  0.38200000000D-01      1.0000000
            D    4   1.00
                  5.0044445497          -0.21587364862D-01
                  1.7736823324           0.20958680086
                  0.76950591696          0.43730880599
                  0.31530878939          0.41123927009
            D    1   1.00
                  0.11754374390          1.0000000
            F    1   1.00
                  0.6554500              1.0000000
            ****
            -Tc     0
            S    3   1.00
                  7.4344020000          -1.1436289973
                  5.5513270000           1.8752000559
                  3.0230860000           0.23952854431
            S    1   1.00
                  1.0647443990           1.0000000
            S    1   1.00
                  0.48127808497          1.0000000
            S    1   1.00
                  0.98299016952D-01      1.0000000
            S    1   1.00
                  0.36659977936D-01      1.0000000
            P    4   1.00
                  3.4490050000          -0.72277510434
                  2.6927370000           0.76458962802
                  0.94427370692          0.64533225171
                  0.41348148619          0.27195668811
            P    1   1.00
                  0.15488152305          1.0000000
            P    1   1.00
                  0.79000000000D-01      1.0000000
            P    1   1.00
                  0.40300000000D-01      1.0000000
            D    4   1.00
                  5.0906268699          -0.32176405405D-01
                  2.0156178510           0.21280802536
                  0.88113887240          0.44403309175
                  0.36427094833          0.40796933085
            D    1   1.00
                  0.13678402297          1.0000000
            F    1   1.00
                  0.7908500              1.0000000
            ****
            -Ru     0
            S    3   1.00
                  7.9365700000          -1.1772083350
                  5.9842450000           1.6197059592
                  4.8822200000           0.51065807556
            S    1   1.00
                  1.1031002163           1.0000000
            S    1   1.00
                  0.49818875261          1.0000000
            S    1   1.00
                  0.10678711393          1.0000000
            S    1   1.00
                  0.39191775872D-01      1.0000000
            P    4   1.00
                  3.7546090000          -0.70777873563
                  2.9165710000           0.74954391484
                  1.0322209568           0.64660609645
                  0.45249553774          0.27029086816
            P    1   1.00
                  0.16987042198          1.0000000
            P    1   1.00
                  0.85500000000D-01      1.0000000
            P    1   1.00
                  0.43000000000D-01      1.0000000
            D    4   1.00
                  5.7341846619          -0.35266111560D-01
                  2.2483686294           0.21802502222
                  0.98376978359          0.44709565013
                  0.40379445583          0.40371732508
            D    1   1.00
                  0.14978618173          1.0000000
            F    1   1.00
                  0.9431400              1.0000000
            ****
            -Rh     0
            S    3   1.00
                  7.9177440000           0.14014042010165D+01
                  6.8412070000          -0.17975072656312D+01
                  2.9598400000          -0.16225754496571
            S    1   1.00
                  1.3166643441            .87495110714057
            S    1   1.00
                  0.56907152172          1.0000000
            S    1   1.00
                  0.10059695193          1.0000000
            S    1   1.00
                  0.37071460798D-01      1.0000000
            P    4   1.00
                  4.1360790000          -0.55183328017626
                  2.9462810000           0.61370533515352
                  1.0792431924           0.64005434538256
                  0.46611217769          0.25958050755066
            P    1   1.00
                  0.17453169991          1.0000000
            P    1   1.00
                  0.84600000000D-01      1.0000000
            P    1   1.00
                  0.0410000              1.0000000
            D    4   1.00
                  6.8847131641          -0.15962387984517D-01
                  2.3837304391           0.23047555828858
                  1.0184384022           0.44075804027937
                  0.39957494644          0.39567661995894
            D    1   1.00
                  0.13951120264          1.0000000
            F    1   1.00
                  1.0949900              1.0000000
            ****
            -Pd     0
            S    3   1.00
                  8.4756400000           1.2392391076
                  7.1657170000          -1.6563109970
                  3.1821100000          -0.13178619060
            S    1   1.00
                  1.3973644196           1.0000000
            S    1   1.00
                  0.60532955868          1.0000000
            S    1   1.00
                  0.10229514209          1.0000000
            S    1   1.00
                  0.37338972881D-01      1.0000000
            P    4   1.00
                  4.2460970000          -0.82324104973
                  3.3925940000           0.87084659933
                  1.1975891264           0.63512225791
                  0.52673750585          0.27225338752
            P    1   1.00
                  0.20607094098          1.0000000
            P    1   1.00
                  0.87300000000D-01      1.0000000
            P    1   1.00
                  0.37000000000D-01      1.0000000
            D    4   1.00
                  7.3613290985          -0.17199885828D-01
                  2.6291037258           0.23313745275
                  1.1292744634           0.44536385867
                  0.44471659896          0.39293650406
            D    1   1.00
                  0.15544893836          1.0000000
            F    1   1.00
                  1.2462900              1.0000000
            ****
            -Ag     0
            S    3   1.00
                  9.0884420000          -1.9808918797
                  7.5407310000           2.7554513347
                  2.7940050000           0.22715408381
            S    1   1.00
                  1.4918135849           1.0000000
            S    1   1.00
                  0.63579159445          1.0000000
            S    1   1.00
                  0.10368414161          1.0000000
            S    1   1.00
                  0.37460004363D-01      1.0000000
            P    4   1.00
                  4.4512400000          -0.99352103771
                  3.6752630000           1.0500525237
                  1.2610620905           0.64747532537
                  0.54212477498          0.25621550723
            P    1   1.00
                  0.20221617026          1.0000000
            P    1   1.00
                  0.91300000000D-01      1.0000000
            P    1   1.00
                  0.0412000              1.0000000
            D    4   1.00
                  7.7956672292          -0.17042912377D-01
                  2.8926510238           0.23446154803
                  1.2474273203           0.44765877533
                  0.49313817671          0.39064954560
            D    1   1.00
                  0.17285032603          1.0000000
            F    1   1.00
                  1.3971100              1.0000000
            ****
            -Cd     0
            S    3   1.00
                  9.7270110000          -1.7930075316
                  7.8375230000           2.6110318971
                  5.0891940000           0.10748428949
            S    1   1.00
                  1.4981738327           1.0000000
            S    1   1.00
                  0.67281383129          1.0000000
            S    1   1.00
                  0.13297424875          1.0000000
            S    1   1.00
                  0.46915090488D-01      1.0000000
            P    4   1.00
                  4.7427160000          -1.0411923051
                  3.9366550000           1.1003682332
                  1.3569243142           0.65366639411
                  0.58791569541          0.24632369113
            P    1   1.00
                  0.21371239619          1.0000000
            P    1   1.00
                  0.10500000000          1.0000000
            P    1   1.00
                  0.0516000              1.0000000
            D    4   1.00
                  7.8631040859          -0.21376239365D-01
                  3.2935059133           0.22596399568
                  1.4503676025           0.45294402972
                  0.59373316766          0.39218971958231D+00
            D    1   1.00
                  0.21760141520          1.0000000
            F    1   1.00
                  1.5981300              1.0000000
            ****
            -In     0
            S    6   1.00
                283.52297445             0.70132141424D-03
                 23.324282101           -0.90887432418D-01
                 16.868026844            0.28096825177
                  6.7866498137          -0.70697832452
                  1.6782596016           0.98671644913
                  0.78396870439          0.62568576302
            S    2   1.00
                  1.8276654775          -0.34151640249
                  0.83753492534         -0.59696724334
            S    1   1.00
                  0.16643068973          1.0000000
            S    1   1.00
                  0.61143742809D-01      1.0000000
            S    1   1.00
                  0.25528481617D-01      1.0000000
            P    4   1.00
                 14.699191826            0.92248042349D-01
                  8.8709038051          -0.32437029300
                  1.1342905889           0.61162217018
                  0.52667652433          0.17609640386
            P    1   1.00
                  2.3284433667           1.0000000
            P    1   1.00
                  0.16859144934          1.0000000
            P    1   1.00
                  0.50070381081D-01      1.0000000
            D    5   1.00
                 31.378655926            0.54007004722D-02
                 18.290046326           -0.11208558948D-01
                  3.2551894590           0.30384519161
                  1.3874842584           0.54078109979
                  0.54248962672          0.38232680038
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.41325112998D-01      1.0000000
            ****
            -Sn     0
            S    6   1.00
                375.95156177             0.15224884228D-02
                 23.661818008           -0.16776065030
                 19.946281315            0.33989090393
                  6.8240270454          -0.84441791529
                  1.8771488722           0.92646952846
                  0.82033199226          0.53091094490
            S    2   1.00
                 10.341549887           -0.90331119154D-02
                  1.3672524155           0.22980877714
            S    1   1.00
                  0.18314843823          1.0000000
            S    1   1.00
                  0.69547226146D-01      1.0000000
            S    1   1.00
                  0.34867474697D-01      1.0000000
            P    4   1.00
                 21.293597748            0.37103218279D-01
                  8.8171842499          -0.32351709661
                  1.2347028371           0.83846760898
                  0.57869142617          0.23294977050
            P    1   1.00
                  2.5084050284           1.0000000
            P    1   1.00
                  0.21298577719          1.0000000
            P    1   1.00
                  0.67364584657D-01      1.0000000
            D    5   1.00
                 39.693023177            0.39185734275D-02
                 20.852179275           -0.68210073667D-02
                  3.6907832774           0.27938420495
                  1.5849404530           0.52607409874
                  0.62772693365          0.36149465348
            D    1   1.00
                  0.20500000000          1.0000000
            D    1   1.00
                  0.54356625231D-01      1.0000000
            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
                  1.9052000235           0.92017581656
                  0.93007107773          0.46754079597
            S    2   1.00
                 10.584496987           -0.14845336778D-01
                  1.4680242769           0.35289492025
            S    1   1.00
                  0.21621190032          1.0000000
            S    1   1.00
                  0.83546307041D-01      1.0000000
            S    1   1.00
                  0.43729879440D-01      1.0000000
            P    4   1.00
                 15.926550950            0.13206950012
                 10.052739237           -0.41511149340
                  1.2682183726           0.74197972626
                  0.57196620929          0.15580772750
            P    1   1.00
                  2.6190751238           1.0000000
            P    1   1.00
                  0.25183282652          1.0000000
            P    1   1.00
                  0.83389127684D-01      1.0000000
            D    5   1.00
                 45.485063360            0.32556415807D-02
                 18.504059617           -0.54952972010D-02
                  3.9156032308           0.27988806353
                  1.7142196009           0.51273377761
                  0.69675478242          0.33288802736
            D    1   1.00
                  0.23060000000          1.0000000
            D    1   1.00
                  0.66830850850D-01      1.0000000
            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
                  2.0705998798           0.79192928400
                  0.97715185085          0.40558342540
            S    2   1.00
                 11.263563841           -0.15212984183D-01
                  1.6122696062           0.35202140517
            S    1   1.00
                  0.25095401705          1.0000000
            S    1   1.00
                  0.97478452576D-01      1.0000000
            S    1   1.00
                  0.38352170654D-01      1.0000000
            P    4   1.00
                 17.479502221            0.11517799182
                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
                  0.59239616258          0.15283299018
            P    1   1.00
                  2.7961737670           1.0000000
            P    1   1.00
                  0.29766401026          1.0000000
            P    1   1.00
                  0.96151090240D-01      1.0000000
            P    1   1.00
                  0.26339831052D-01      1.0000000
            D    5   1.00
                 50.821835991            0.33763474774D-02
                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
                  0.77069282849          0.32213541689
            D    1   1.00
                  0.25000000000          1.0000000
            D    1   1.00
                  0.66543837442D-01      1.0000000
            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
                 11.720547572           -0.16160234511D-01
                  1.7625986449           0.35271525193
            S    1   1.00
                  0.28697476318          1.0000000
            S    1   1.00
                  0.11227609607          1.0000000
            S    1   1.00
                  0.45123635492D-01      1.0000000
            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
                  3.0288656771           1.0000000
            P    1   1.00
                  0.34506591841          1.0000000
            P    1   1.00
                  0.11134513813          1.0000000
            P    1   1.00
                  0.29795507230D-01      1.0000000
            D    5   1.00
                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
                  0.87640281623          0.31232025297
            D    1   1.00
                  0.30900000000          1.0000000
            D    1   1.00
                  0.77987255180D-01      1.0000000
            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
                 18.048324490            0.57524870348
            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
                  2.6257211320           1.0000000
            S    1   1.00
                  1.2905042943           1.0000000
            S    1   1.00
                  0.36204185060          1.0000000
            S    1   1.00
                  0.14069888091          1.0000000
            S    1   1.00
                  0.50201095588D-01      1.0000000
            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
                  0.52321923128          1.0000000
            P    1   1.00
                  0.21945569800          1.0000000
            P    1   1.00
                  0.86158996836D-01      1.0000000
            P    1   1.00
                  0.23749464135D-01      1.0000000
            D    6   1.00
                135.60300038             0.81873543290D-03
                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
                  1.2938205124           0.36029482992
            D    1   1.00
                  0.58050830139          1.0000000
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.68002755933D-01      1.0000000
            F    1   1.00
                  2.5000000              1.0000000
            F    1   1.00
                  0.49652793             1.0000000
            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
                  0.37485237136          1.0000000
            S    1   1.00
                  0.16384858778          1.0000000
            S    1   1.00
                  0.27230462048D-01      1.0000000
            S    1   1.00
                  0.11991533212D-01      1.0000000
            P    4   1.00
                  4.2751856154           0.45723074174D-01
                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
                  0.91450850296D-01      1.0000000
            P    1   1.00
                  0.17592078473D-01      1.0000000
            P    1   1.00
                  0.33986441258D-02      1.0000000
            D    1   1.00
                  0.1330000              1.0000000
            D    1   1.00
                  0.33216214821D-01      1.0000000
            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
                  0.27420073547          1.0000000
            S    1   1.00
                  0.40933264188D-01      1.0000000
            S    1   1.00
                  0.18060156423D-01      1.0000000
            P    4   1.00
                  2.9267420000           0.79815276764
                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
                  0.13221792446          1.0000000
            P    1   1.00
                  0.33039565349D-01      1.0000000
            P    1   1.00
                  0.14159090510D-01      1.0000000
            D    4   1.00
                  0.9663150             -0.9089380
                  0.8938280              0.9472400
                  0.2731950              0.3220570
                  0.1038910              0.4732600
            D    1   1.00
                  0.0355780              0.365977
            F    4   1.00
                 10.00                   0.073
                  3.20                   0.210
                  1.00                   0.350
                  0.32                   0.360
            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
                  0.48954926461          1.0000000
            S    1   1.00
                  0.23292032550          1.0000000
            S    1   1.00
                  0.55595529876D-01      1.0000000
            S    1   1.00
                  0.22795184937D-01      1.0000000
            P    4   1.00
                  3.0251610000          -0.28580266654872D+00
                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
                  0.32519427171         -0.58864843929619D+00
            P    1   1.00
                  0.13635489374          1.0000000
            P    1   1.00
                  0.58500000000D-01      1.0000000
            P    1   1.00
                  0.0251000              1.0000000
            D    4   1.00
                  1.2667182018          -0.17445579381106D+00
                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
                  0.13398788830          0.44878277154181D+00
            D    1   1.00
                  0.51275503081D-01      1.0000000
            F    1   1.00
                  0.2568300              1.0000000
            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
                  0.79665469409          1.0000000
            S    1   1.00
                  0.34234072894          1.0000000
            S    1   1.00
                  0.98109197714D-01      1.0000000
            S    1   1.00
                  0.36190984443D-01      1.0000000
            P    4   1.00
                  6.7265310000           0.65076205465872
                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
                  0.20258973792          1.0000000
            P    1   1.00
                  0.82500000000D-01      1.0000000
            P    1   1.00
                  0.0336000              1.0000000
            D    4   1.00
                  3.9820623229          -0.042446023944105
                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
                  0.73099858787D-01      1.0000000
            F    1   1.00
                  0.3154700              1.0000000
            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
                  0.39142776556D-01      1.0000000
            P    4   1.00
                  7.4188720000           0.26979695152
                  5.6984100000          -0.46968874449
                  1.1777211960           0.50905100155
                  0.54478533555          0.52298161137
            P    1   1.00
                  0.22309270117          1.0000000
            P    1   1.00
                  0.98100000000D-01      1.0000000
            P    1   1.00
                  0.0431000              1.0000000
            D    4   1.00
                  3.9738796278          -0.52799310714D-01
                  1.4528884813           0.18558319471
                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
                  0.87909318337D-01      1.0000000
            F    1   1.00
                  0.3738600              1.0000000
            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
            S    1   1.00
                  0.92785370307          1.0000000
            S    1   1.00
                  0.40334458241          1.0000000
            S    1   1.00
                  0.11585976646          1.0000000
            S    1   1.00
                  0.41800474073D-01      1.0000000
            P    4   1.00
                  7.2496570000           0.45857265530
                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
                  0.24106964301          1.0000000
            P    1   1.00
                  0.98600000000D-01      1.0000000
            P    1   1.00
                  0.0403000              1.0000000
            D    4   1.00
                  4.0131231332          -0.63416491808D-01
                  1.6237452450           0.18452733732
                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
                  0.10225296446          1.0000000
            F    1   1.00
                  0.4319900              1.0000000
            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
            S    1   1.00
                  0.43949851581D-01      1.0000000
            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
                  0.25922718696          1.0000000
            P    1   1.00
                  0.11190000000          1.0000000
            P    1   1.00
                  0.04200000000          1.0000000
            D    4   1.00
                  4.0616274916          -0.76667295205D-01
                  1.8487943286           0.18067495215
                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
                  0.11892742980          1.0000000
            F    1   1.00
                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
                  0.46783543749          1.0000000
            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
                  0.47101982911D-01      1.0000000
            P    4   1.00
                  7.9362790000           0.33899369659
                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
                  0.12830000000          1.0000000
            P    1   1.00
                  0.04800000000          1.0000000
            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
                  0.31306011113          1.0000000
            P    1   1.00
                  0.13100000000          1.0000000
            P    1   1.00
                  0.0548000              1.0000000
            D    4   1.00
                  3.6994850000          -0.54840155964653
                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
                  0.48989034059D-01      1.0000000
            P    4   1.00
                  8.1000000000           0.72955608128
                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
                  0.30270484669          1.0000000
            P    1   1.00
                  0.12300000000          1.0000000
            P    1   1.00
                  0.50000000000D-01      1.0000000
            D    4   1.00
                  4.6299536825          -0.87774450596D-01
                  2.1980241252           0.21158360681
                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
                  0.48876985527D-01      1.0000000
            P    4   1.00
                  8.6096650000           0.50053018599
                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
                  0.32384840661          1.0000000
            P    1   1.00
                  0.13220000000          1.0000000
            P    1   1.00
                  0.0540000              1.0000000
            D    4   1.00
                  4.1439490000          -0.37099566643
                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
                  0.16490636769          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
                  9.7729900000           0.21210940502
                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
                  0.34494917659          1.0000000
            P    1   1.00
                  0.15540000000          1.0000000
            P    1   1.00
                  0.07000000000          1.0000000
            D    4   1.00
                  4.2800000000          -0.32033414305491
                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
                  0.18501599388          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/Gau-950.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=       971.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=22_phenylethanamine_conformer03_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               2.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "22_phenylethanamine_conformer03_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.759102000000      1.294865000000      0.124219000000
  C                                                -0.385999000000      1.089252000000      0.091522000000
  C                                                 0.143220000000     -0.195011000000     -0.038794000000
  C                                                -0.738993000000     -1.267271000000     -0.139586000000
  C                                                -2.114323000000     -1.067587000000     -0.113927000000
  C                                                -2.629131000000      0.215606000000      0.019441000000
  C                                                 1.640191000000     -0.425479000000     -0.053017000000
  N                                                 2.173891000000     -0.208169000000      1.300507000000
  C                                                 2.343118000000      0.395962000000     -1.141195000000
  H                                                 1.921765000000      0.715604000000      1.634380000000
  H                                                 1.800966000000     -1.482881000000     -0.280603000000
  H                                                 2.234739000000      1.467081000000     -0.959830000000
  H                                                 1.932322000000      0.176383000000     -2.128993000000
  H                                                 3.410705000000      0.164795000000     -1.156871000000
  H                                                -0.342500000000     -2.270931000000     -0.234294000000
  H                                                -2.783048000000     -1.915102000000     -0.194949000000
  H                                                -3.699496000000      0.374691000000      0.041084000000
  H                                                -2.150672000000      2.298939000000      0.227511000000
  H                                                 0.276829000000      1.942910000000      0.165669000000
  H                                                 3.187261000000     -0.256330000000      1.291368000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          14          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  14.0030740  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           2           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   4.5500000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   7.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.759102    1.294865    0.124219
      2          6           0       -0.385999    1.089252    0.091522
      3          6           0        0.143220   -0.195011   -0.038794
      4          6           0       -0.738993   -1.267271   -0.139586
      5          6           0       -2.114323   -1.067587   -0.113927
      6          6           0       -2.629131    0.215606    0.019441
      7          6           0        1.640191   -0.425479   -0.053017
      8          7           0        2.173891   -0.208169    1.300507
      9          6           0        2.343118    0.395962   -1.141195
     10          1           0        1.921765    0.715604    1.634380
     11          1           0        1.800966   -1.482881   -0.280603
     12          1           0        2.234739    1.467081   -0.959830
     13          1           0        1.932322    0.176383   -2.128993
     14          1           0        3.410705    0.164795   -1.156871
     15          1           0       -0.342500   -2.270931   -0.234294
     16          1           0       -2.783048   -1.915102   -0.194949
     17          1           0       -3.699496    0.374691    0.041084
     18          1           0       -2.150672    2.298939    0.227511
     19          1           0        0.276829    1.942910    0.165669
     20          1           0        3.187261   -0.256330    1.291368
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.388797   0.000000
     3  C    2.421804   1.395130   0.000000
     4  C    2.770335   2.393996   1.392193   0.000000
     5  C    2.400849   2.771510   2.421474   1.389987   0.000000
     6  C    1.390226   2.408338   2.803200   2.407662   1.389028
     7  C    3.813947   2.533919   1.514675   2.525198   3.809513
     8  N    4.371636   3.114158   2.432596   3.417669   4.596521
     9  C    4.386058   3.073812   2.530630   3.642660   4.802711
    10  H    4.020561   2.801035   2.606138   3.762763   4.746194
    11  H    4.533634   3.396640   2.113103   2.552991   3.940779
    12  H    4.141930   2.848923   2.825829   4.122204   5.104354
    13  H    4.467055   3.337458   2.776284   3.630124   4.688634
    14  H    5.444736   4.102203   3.472177   4.506182   5.756078
    15  H    3.853595   3.376222   2.140932   1.083287   2.145200
    16  H    3.384409   3.854096   3.397961   2.144973   1.082608
    17  H    2.149130   3.390045   3.885538   3.390171   2.148713
    18  H    1.082664   2.143807   3.398918   3.852980   3.383991
    19  H    2.136983   1.083315   2.151828   3.380878   3.854721
    20  H    5.313657   4.002300   3.322541   4.299430   5.544347
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.317795   0.000000
     8  N    4.988961   1.471083   0.000000
     9  C    5.109096   1.533950   2.521016   0.000000
    10  H    4.854759   2.056371   1.014098   2.825513   0.000000
    11  H    4.754013   1.093500   2.064915   2.136492   2.918062
    12  H    5.116873   2.181188   2.814123   1.091758   2.718933
    13  H    5.042238   2.181113   3.459437   1.092114   3.801822
    14  H    6.153528   2.168326   2.776242   1.092440   3.211139
    15  H    3.387614   2.714704   3.597614   3.891957   4.187867
    16  H    2.146991   4.669493   5.451720   5.702103   5.692304
    17  H    1.082339   5.400128   6.035110   6.157225   5.852639
    18  H    2.147671   4.676729   5.112608   5.068415   4.590313
    19  H    3.383721   2.741504   3.084452   2.893180   2.523729
    20  H    5.972515   2.056552   1.014555   2.656205   1.632113
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.058069   0.000000
    13  H    2.487359   1.767569   0.000000
    14  H    2.464537   1.765693   1.769399   0.000000
    15  H    2.284210   4.597967   3.841099   4.568420   0.000000
    16  H    4.605142   6.099376   5.509043   6.604078   2.466665
    17  H    5.814563   6.116395   6.038703   7.213467   4.283056
    18  H    5.493249   4.618831   5.170029   6.115554   4.936240
    19  H    3.776003   2.307937   3.335678   3.838227   4.277849
    20  H    2.428443   2.990875   3.668921   2.494223   4.341137
                   16         17         18         19         20
    16  H    0.000000
    17  H    2.477648   0.000000
    18  H    4.282116   2.477164   0.000000
    19  H    4.937322   4.276212   2.454250   0.000000
    20  H    6.372225   7.027718   6.012880   3.817652   0.000000
 Stoichiometry    C8H11N
 Framework group  C1[X(C8H11N)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 8.15D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.759102    1.294865    0.124219
      2          6           0       -0.385999    1.089252    0.091522
      3          6           0        0.143220   -0.195011   -0.038794
      4          6           0       -0.738993   -1.267271   -0.139586
      5          6           0       -2.114323   -1.067587   -0.113927
      6          6           0       -2.629131    0.215606    0.019441
      7          6           0        1.640191   -0.425479   -0.053017
      8          7           0        2.173891   -0.208169    1.300507
      9          6           0        2.343118    0.395962   -1.141195
     10          1           0        1.921765    0.715604    1.634380
     11          1           0        1.800966   -1.482881   -0.280603
     12          1           0        2.234739    1.467081   -0.959830
     13          1           0        1.932322    0.176383   -2.128993
     14          1           0        3.410705    0.164795   -1.156871
     15          1           0       -0.342500   -2.270931   -0.234294
     16          1           0       -2.783048   -1.915102   -0.194949
     17          1           0       -3.699496    0.374691    0.041084
     18          1           0       -2.150672    2.298939    0.227511
     19          1           0        0.276829    1.942910    0.165669
     20          1           0        3.187261   -0.256330    1.291368
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4238817           1.0937065           0.9971853
 Leave Link  202 at Fri Aug 13 10:47:07 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   286 symmetry adapted cartesian basis functions of A   symmetry.
 There are   268 symmetry adapted basis functions of A   symmetry.
   268 basis functions,   398 primitive gaussians,   286 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.2473536436 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0115800045 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.2357736391 Hartrees.
 Leave Link  301 at Fri Aug 13 10:47:08 2021, MaxMem=  5368709120 cpu:               7.4 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   268 RedAO= T EigKep=  5.05D-06  NBF=   268
 NBsUse=   268 1.00D-06 EigRej= -1.00D+00 NBFU=   268
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   286   286   286   286   286 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               3.4 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "22_phenylethanamine_conformer03_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               3.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368540348 LenY=  5368458111
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -365.855789721540    
 DIIS: error= 5.46D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -365.855789721540     IErMin= 1 ErrMin= 5.46D-03
 ErrMax= 5.46D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.33D-03 BMatP= 8.33D-03
 IDIUse=3 WtCom= 9.45D-01 WtEn= 5.46D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.379 Goal=   None    Shift=    0.000
 GapD=    0.379 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.09D-02 MaxDP=3.32D-01              OVMax= 1.88D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.66D-03    CP:  1.15D+00
 E= -365.863061060922     Delta-E=       -0.007271339382 Rises=F Damp=F
 DIIS: error= 5.50D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -365.863061060922     IErMin= 2 ErrMin= 5.50D-04
 ErrMax= 5.50D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.71D-04 BMatP= 8.33D-03
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.50D-03
 Coeff-Com: -0.521D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.518D-01 0.105D+01
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=1.98D-03 MaxDP=6.07D-02 DE=-7.27D-03 OVMax= 5.97D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.54D-04    CP:  1.19D+00  1.13D+00
 E= -365.863319688907     Delta-E=       -0.000258627985 Rises=F Damp=F
 DIIS: error= 4.71D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -365.863319688907     IErMin= 3 ErrMin= 4.71D-04
 ErrMax= 4.71D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.12D-05 BMatP= 1.71D-04
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.71D-03
 Coeff-Com: -0.428D-01 0.429D+00 0.614D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.426D-01 0.427D+00 0.616D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=2.36D-04 MaxDP=1.73D-02 DE=-2.59D-04 OVMax= 2.37D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.76D-04    CP:  1.19D+00  1.14D+00  1.08D+00
 E= -365.863394457769     Delta-E=       -0.000074768862 Rises=F Damp=F
 DIIS: error= 7.57D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -365.863394457769     IErMin= 4 ErrMin= 7.57D-05
 ErrMax= 7.57D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.16D-06 BMatP= 8.12D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.453D-02-0.155D-01 0.108D+00 0.912D+00
 Coeff:     -0.453D-02-0.155D-01 0.108D+00 0.912D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=5.96D-05 MaxDP=2.29D-03 DE=-7.48D-05 OVMax= 1.03D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.53D-05    CP:  1.19D+00  1.15D+00  1.11D+00  1.10D+00
 E= -365.863398682287     Delta-E=       -0.000004224518 Rises=F Damp=F
 DIIS: error= 4.92D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -365.863398682287     IErMin= 5 ErrMin= 4.92D-05
 ErrMax= 4.92D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.69D-07 BMatP= 3.16D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.150D-02-0.366D-01-0.114D-01 0.344D+00 0.702D+00
 Coeff:      0.150D-02-0.366D-01-0.114D-01 0.344D+00 0.702D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=2.67D-05 MaxDP=2.20D-03 DE=-4.22D-06 OVMax= 3.39D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.46D-05    CP:  1.19D+00  1.15D+00  1.13D+00  1.16D+00  1.08D+00
 E= -365.863399491988     Delta-E=       -0.000000809700 Rises=F Damp=F
 DIIS: error= 8.86D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -365.863399491988     IErMin= 6 ErrMin= 8.86D-06
 ErrMax= 8.86D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.28D-08 BMatP= 6.69D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.840D-03-0.931D-02-0.126D-01 0.117D-01 0.190D+00 0.819D+00
 Coeff:      0.840D-03-0.931D-02-0.126D-01 0.117D-01 0.190D+00 0.819D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=8.62D-06 MaxDP=7.94D-04 DE=-8.10D-07 OVMax= 1.70D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.21D-06    CP:  1.19D+00  1.15D+00  1.13D+00  1.19D+00  1.17D+00
                    CP:  1.22D+00
 E= -365.863399570533     Delta-E=       -0.000000078546 Rises=F Damp=F
 DIIS: error= 3.02D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -365.863399570533     IErMin= 7 ErrMin= 3.02D-06
 ErrMax= 3.02D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.98D-09 BMatP= 4.28D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.179D-04 0.219D-02-0.274D-03-0.329D-01-0.413D-01 0.110D+00
 Coeff-Com:  0.962D+00
 Coeff:     -0.179D-04 0.219D-02-0.274D-03-0.329D-01-0.413D-01 0.110D+00
 Coeff:      0.962D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=4.15D-06 MaxDP=5.14D-04 DE=-7.85D-08 OVMax= 8.29D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.46D-06    CP:  1.19D+00  1.15D+00  1.13D+00  1.20D+00  1.21D+00
                    CP:  1.38D+00  1.21D+00
 E= -365.863399580579     Delta-E=       -0.000000010046 Rises=F Damp=F
 DIIS: error= 1.82D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -365.863399580579     IErMin= 8 ErrMin= 1.82D-06
 ErrMax= 1.82D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.87D-09 BMatP= 3.98D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.135D-03 0.258D-02 0.186D-02-0.188D-01-0.515D-01-0.761D-01
 Coeff-Com:  0.506D+00 0.636D+00
 Coeff:     -0.135D-03 0.258D-02 0.186D-02-0.188D-01-0.515D-01-0.761D-01
 Coeff:      0.506D+00 0.636D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=1.55D-06 MaxDP=2.04D-04 DE=-1.00D-08 OVMax= 2.88D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.59D-07    CP:  1.19D+00  1.15D+00  1.13D+00  1.21D+00  1.23D+00
                    CP:  1.44D+00  1.35D+00  1.05D+00
 E= -365.863399583308     Delta-E=       -0.000000002729 Rises=F Damp=F
 DIIS: error= 2.43D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -365.863399583308     IErMin= 9 ErrMin= 2.43D-07
 ErrMax= 2.43D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.67D-11 BMatP= 1.87D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.179D-06-0.194D-03 0.753D-05 0.289D-02 0.332D-02-0.855D-02
 Coeff-Com: -0.844D-01-0.132D-01 0.110D+01
 Coeff:      0.179D-06-0.194D-03 0.753D-05 0.289D-02 0.332D-02-0.855D-02
 Coeff:     -0.844D-01-0.132D-01 0.110D+01
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=6.47D-07 MaxDP=7.97D-05 DE=-2.73D-09 OVMax= 1.00D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.42D-07    CP:  1.19D+00  1.15D+00  1.13D+00  1.21D+00  1.23D+00
                    CP:  1.45D+00  1.39D+00  1.16D+00  1.18D+00
 E= -365.863399583413     Delta-E=       -0.000000000106 Rises=F Damp=F
 DIIS: error= 8.42D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -365.863399583413     IErMin=10 ErrMin= 8.42D-08
 ErrMax= 8.42D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.09D-12 BMatP= 2.67D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.869D-05-0.224D-03-0.118D-03 0.215D-02 0.423D-02 0.245D-02
 Coeff-Com: -0.576D-01-0.436D-01 0.335D+00 0.757D+00
 Coeff:      0.869D-05-0.224D-03-0.118D-03 0.215D-02 0.423D-02 0.245D-02
 Coeff:     -0.576D-01-0.436D-01 0.335D+00 0.757D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=1.01D-07 MaxDP=1.07D-05 DE=-1.06D-10 OVMax= 1.62D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.93D-08    CP:  1.19D+00  1.15D+00  1.13D+00  1.21D+00  1.23D+00
                    CP:  1.45D+00  1.39D+00  1.18D+00  1.22D+00  1.10D+00
 E= -365.863399583421     Delta-E=       -0.000000000008 Rises=F Damp=F
 DIIS: error= 2.41D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -365.863399583421     IErMin=11 ErrMin= 2.41D-08
 ErrMax= 2.41D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.35D-13 BMatP= 4.09D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.232D-05-0.379D-04-0.356D-04 0.261D-03 0.707D-03 0.173D-02
 Coeff-Com: -0.542D-02-0.102D-01-0.421D-01 0.192D+00 0.863D+00
 Coeff:      0.232D-05-0.379D-04-0.356D-04 0.261D-03 0.707D-03 0.173D-02
 Coeff:     -0.542D-02-0.102D-01-0.421D-01 0.192D+00 0.863D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=2.77D-08 MaxDP=1.78D-06 DE=-8.19D-12 OVMax= 6.13D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.39D-08    CP:  1.19D+00  1.15D+00  1.13D+00  1.21D+00  1.23D+00
                    CP:  1.45D+00  1.39D+00  1.19D+00  1.22D+00  1.19D+00
                    CP:  1.12D+00
 E= -365.863399583426     Delta-E=       -0.000000000004 Rises=F Damp=F
 DIIS: error= 9.40D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -365.863399583426     IErMin=12 ErrMin= 9.40D-09
 ErrMax= 9.40D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.10D-14 BMatP= 4.35D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.260D-06 0.134D-04 0.661D-06-0.157D-03-0.284D-03 0.175D-03
 Coeff-Com:  0.480D-02 0.195D-02-0.482D-01-0.353D-01 0.251D+00 0.826D+00
 Coeff:     -0.260D-06 0.134D-04 0.661D-06-0.157D-03-0.284D-03 0.175D-03
 Coeff:      0.480D-02 0.195D-02-0.482D-01-0.353D-01 0.251D+00 0.826D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=7.88D-09 MaxDP=4.25D-07 DE=-4.09D-12 OVMax= 1.88D-07

 SCF Done:  E(RwB97XD) =  -365.863399583     A.U. after   12 cycles
            NFock= 12  Conv=0.79D-08     -V/T= 2.0119
 KE= 3.615718301947D+02 PE=-1.696809074725D+03 EE= 5.441380713077D+02
 Leave Link  502 at Fri Aug 13 10:49:00 2021, MaxMem=  5368709120 cpu:             874.3 elap:             109.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   268
 NBasis=   268 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    268 NOA=    33 NOB=    33 NVA=   235 NVB=   235

 **** Warning!!: The largest alpha MO coefficient is  0.73673451D+02

 Leave Link  801 at Fri Aug 13 10:49:01 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6045 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.29D-13 8.33D-09 XBig12= 1.00D+00 3.74D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.29D-13 8.33D-09 XBig12= 1.95D-01 7.54D-02.
     11 vectors produced by pass  2 Test12= 1.29D-13 8.33D-09 XBig12= 3.54D-02 5.31D-02.
     11 vectors produced by pass  3 Test12= 1.29D-13 8.33D-09 XBig12= 3.14D-03 1.51D-02.
     11 vectors produced by pass  4 Test12= 1.29D-13 8.33D-09 XBig12= 3.30D-04 5.51D-03.
     11 vectors produced by pass  5 Test12= 1.29D-13 8.33D-09 XBig12= 2.22D-05 8.50D-04.
     11 vectors produced by pass  6 Test12= 1.29D-13 8.33D-09 XBig12= 7.62D-07 1.73D-04.
     11 vectors produced by pass  7 Test12= 1.29D-13 8.33D-09 XBig12= 1.41D-08 2.01D-05.
     11 vectors produced by pass  8 Test12= 1.29D-13 8.33D-09 XBig12= 2.31D-10 2.39D-06.
     11 vectors produced by pass  9 Test12= 1.29D-13 8.33D-09 XBig12= 4.03D-12 3.30D-07.
      8 vectors produced by pass 10 Test12= 1.29D-13 8.33D-09 XBig12= 7.67D-14 4.27D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   118 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.131563D+03
      2  0.629342D+00  0.105829D+03
      3 -0.744588D+00  0.263159D+01  0.762598D+02
 Isotropic polarizability for W=    0.085645      104.55 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.650336D+02 -0.217953D+00  0.591513D+01
      2   0.135286D+02  0.412110D+01  0.532514D+01
      3   0.515050D+02 -0.390315D+01 -0.112403D+02
      4   0.789412D+01 -0.744070D+02 -0.165038D+02
      5  -0.913535D+01 -0.161910D+02  0.491812D+02
      6  -0.588672D+01 -0.699841D+01  0.376828D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.932768D+00 -0.255963D+01 -0.564994D+00
      2   0.279970D+01 -0.683189D+01  0.175691D+02
      3  -0.415378D+01  0.357841D+02  0.617548D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.312826D+00 -0.123235D+02 -0.767143D+01
      2   0.150505D+02 -0.106171D+02 -0.232384D+01
      3   0.811208D+01  0.879356D+02  0.103043D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.249997D+00  0.280848D+00  0.123478D+01
      2   0.280848D+00  0.899856D+00 -0.263683D+01
      3   0.123478D+01 -0.263683D+01 -0.373499D+00
 OR G Eigenvalues:    -2.9443     0.1492     3.0714  Iso=    -0.0921
 Eigenvectors:
   (1)  -0.396759   0.538764   0.743180
   (2)   0.901413   0.381551   0.204631
   (3)  -0.173313   0.751101  -0.637032
 w=    0.085645 a.u., Optical Rotation Beta=     -0.0921 au.
 Molar Mass =    121.1816 grams/mole, [Alpha] ( 5320.0 A) =      -36.05 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   36046 ScalPx= 1.29D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36046 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.26D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.15D-14 2.78D-09 XBig12= 1.00D+00 4.98D-01.
     30 vectors produced by pass  1 Test12= 2.15D-14 2.78D-09 XBig12= 5.21D-02 4.47D-02.
     30 vectors produced by pass  2 Test12= 2.15D-14 2.78D-09 XBig12= 2.38D-03 7.01D-03.
     30 vectors produced by pass  3 Test12= 2.15D-14 2.78D-09 XBig12= 3.60D-05 8.90D-04.
     30 vectors produced by pass  4 Test12= 2.15D-14 2.78D-09 XBig12= 4.81D-07 9.93D-05.
     30 vectors produced by pass  5 Test12= 2.15D-14 2.78D-09 XBig12= 4.32D-09 1.09D-05.
     30 vectors produced by pass  6 Test12= 2.15D-14 2.78D-09 XBig12= 3.08D-11 8.16D-07.
     30 vectors produced by pass  7 Test12= 2.15D-14 2.78D-09 XBig12= 2.16D-13 5.38D-08.
      6 vectors produced by pass  8 Test12= 2.15D-14 2.78D-09 XBig12= 1.96D-15 5.47D-09.
      3 vectors produced by pass  9 Test12= 2.15D-14 2.78D-09 XBig12= 9.91D-16 3.97D-09.
      2 vectors produced by pass 10 Test12= 2.15D-14 2.78D-09 XBig12= 5.94D-16 4.96D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.11D-15
 Solved reduced A of dimension   251 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36046 ScalPx= 4.82D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36046 ScalPx= 4.82D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36046 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.56D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.131563D+03  0.629342D+00 -0.744588D+00
      2   0.629342D+00  0.105829D+03  0.263159D+01
      3  -0.744588D+00  0.263159D+01  0.762598D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.932768D+00 -0.255963D+01 -0.564994D+00
      2   0.279970D+01 -0.683189D+01  0.175691D+02
      3  -0.415378D+01  0.357841D+02  0.617548D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.650336D+02 -0.217953D+00  0.591513D+01
      2   0.135286D+02  0.412110D+01  0.532514D+01
      3   0.515050D+02 -0.390315D+01 -0.112403D+02
      4   0.789412D+01 -0.744070D+02 -0.165038D+02
      5  -0.913535D+01 -0.161910D+02  0.491812D+02
      6  -0.588672D+01 -0.699841D+01  0.376828D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.335176D+01 -0.571581D+00 -0.175035D+00  0.495483D+01 -0.271943D+00
      2  -0.571581D+00 -0.179267D+01 -0.254278D-01 -0.271943D+00  0.142679D+01
      3  -0.175035D+00 -0.254278D-01 -0.910801D+00  0.174977D+00 -0.451884D+00
                 6             7             8             9            10 
      1   0.174977D+00  0.670401D+00  0.243517D+00 -0.197940D+01 -0.279926D+01
      2  -0.451884D+00  0.243517D+00 -0.815931D+00  0.409990D+01 -0.719271D+00
      3   0.187049D+01 -0.197940D+01  0.409990D+01  0.117109D+01  0.981962D-01
                11            12            13            14            15 
      1  -0.719271D+00  0.981962D-01  0.774989D+01  0.305541D+00 -0.159233D+00
      2   0.335651D+01  0.214965D+00  0.305541D+00  0.101158D+01 -0.321691D+00
      3   0.214965D+00  0.144645D+01 -0.159233D+00 -0.321691D+00  0.139445D+01
                16            17            18            19            20 
      1   0.777040D+00 -0.542534D-01  0.185053D+01  0.155123D+02 -0.124107D+01
      2  -0.542534D-01 -0.380631D+00  0.322323D+01 -0.124107D+01  0.262903D+01
      3   0.185053D+01  0.322323D+01  0.769302D+00 -0.253360D-01  0.204678D+00
                21            22            23            24            25 
      1  -0.253360D-01 -0.282444D+01 -0.163695D+01 -0.822043D+00 -0.451810D+00
      2   0.204678D+00 -0.163695D+01 -0.776427D+00 -0.124038D+00 -0.644581D+00
      3   0.162180D+01 -0.822043D+00 -0.124038D+00  0.202544D+00  0.424897D+01
                26            27            28            29            30 
      1  -0.644581D+00  0.424897D+01 -0.430851D+01  0.238185D+01  0.192684D+00
      2  -0.254861D+00 -0.171305D+00  0.238185D+01  0.240049D+01  0.816654D-01
      3  -0.171305D+00  0.468313D-01  0.192684D+00  0.816654D-01  0.975732D+00
                31            32            33            34            35 
      1  -0.615832D+01  0.177251D+00  0.543871D-02 -0.706040D+00 -0.157991D+00
      2   0.177251D+00 -0.155294D+01  0.327953D+00 -0.157991D+00  0.711442D+00
      3   0.543871D-02  0.327953D+00 -0.187457D+01  0.115734D+01 -0.417489D+01
                36            37            38            39            40 
      1   0.115734D+01  0.164669D+01 -0.578201D+00 -0.751454D-02 -0.530351D+01
      2  -0.417489D+01 -0.578201D+00 -0.329784D+01 -0.297981D+00  0.757282D+00
      3  -0.124067D+01 -0.751454D-02 -0.297981D+00 -0.130070D+01  0.321490D+00
                41            42            43            44            45 
      1   0.757282D+00  0.321490D+00 -0.699189D+00  0.327894D+00 -0.308008D+01
      2  -0.365098D+00  0.503594D+00  0.327894D+00  0.558687D+00 -0.337486D+01
      3   0.503594D+00 -0.155916D+01 -0.308008D+01 -0.337486D+01 -0.791905D+00
                46            47            48            49            50 
      1  -0.541308D+01  0.155382D+00  0.178681D-01  0.721294D+00  0.851207D+00
      2   0.155382D+00 -0.323832D+01 -0.128488D+00  0.851207D+00 -0.395411D+00
      3   0.178681D-01 -0.128488D+00 -0.222815D+01  0.745654D+00 -0.211436D+00
                51            52            53            54            55 
      1   0.745654D+00  0.351568D-02  0.648025D+00 -0.547396D+01 -0.195983D+01
      2  -0.211436D+00  0.648025D+00 -0.238812D-01  0.601586D+00 -0.595810D+00
      3   0.334800D+00 -0.547396D+01  0.601586D+00  0.275968D+00  0.343456D+00
                56            57            58            59            60 
      1  -0.595810D+00  0.343456D+00 -0.186675D+01 -0.139309D+01  0.145913D+01
      2  -0.627249D+00  0.985937D+00 -0.139309D+01  0.579739D+01  0.248017D+01
      3   0.985937D+00 -0.323269D+01  0.145913D+01  0.248017D+01 -0.211251D+01
                61            62            63            64            65 
      1  -0.612637D+00  0.966664D+00 -0.553852D+01 -0.798596D+01  0.704860D-02
      2   0.966664D+00  0.222977D+01 -0.762569D+00  0.704860D-02  0.694140D+00
      3  -0.553852D+01 -0.762569D+00  0.448907D+00 -0.370662D+00 -0.347272D+00
                66            67            68            69            70 
      1  -0.370662D+00 -0.154771D-01  0.101503D+01 -0.902059D+00  0.307697D+01
      2  -0.347272D+00  0.101503D+01 -0.388935D+01 -0.111886D+01 -0.667766D+00
      3   0.915454D+00 -0.902059D+00 -0.111886D+01 -0.839739D+00  0.322530D+01
                71            72            73            74            75 
      1  -0.667766D+00  0.322530D+01 -0.865587D+01  0.187198D+01  0.255817D+00
      2  -0.167424D+01 -0.108523D+01  0.187198D+01  0.860015D+00 -0.686609D+00
      3  -0.108523D+01  0.409135D+01  0.255817D+00 -0.686609D+00  0.422597D+01
                76            77            78            79            80 
      1   0.428589D+01  0.875782D+00 -0.125968D+01 -0.215209D+01 -0.102461D+01
      2   0.875782D+00 -0.473690D+01 -0.160631D+01 -0.102461D+01 -0.151154D+01
      3  -0.125968D+01 -0.160631D+01  0.310513D+01  0.399841D+01  0.187660D+01
                81            82            83            84            85 
      1   0.399841D+01 -0.555050D+00  0.588054D+00  0.629257D-01  0.195310D+01
      2   0.187660D+01  0.588054D+00 -0.842079D+00 -0.233970D+00 -0.228954D-01
      3   0.346737D+01  0.629257D-01 -0.233970D+00 -0.811577D+00  0.429563D+00
                86            87            88            89            90 
      1  -0.228954D-01  0.429563D+00  0.601839D+00  0.166158D+00  0.184688D+00
      2   0.399290D+01  0.236702D+01  0.166158D+00  0.211162D+01  0.109045D+01
      3   0.236702D+01  0.219734D+01  0.184688D+00  0.109045D+01  0.206730D+01
                91            92            93            94            95 
      1   0.384398D-01 -0.122455D+01 -0.391028D+00 -0.242847D+01  0.175505D+01
      2  -0.122455D+01  0.114429D+01  0.121494D+00  0.175505D+01 -0.693038D+01
      3  -0.391028D+00  0.121494D+00  0.799485D+00  0.482240D-01 -0.125247D+01
                96            97            98            99           100 
      1   0.482240D-01 -0.473590D+00  0.145791D+00  0.891473D+00  0.703279D+00
      2  -0.125247D+01  0.145791D+00 -0.129102D+01 -0.114439D+01  0.601111D+00
      3  -0.147404D+01  0.891473D+00 -0.114439D+01 -0.844276D+00  0.931981D-01
               101           102           103           104           105 
      1   0.601111D+00  0.931981D-01  0.186497D+01  0.717587D+00 -0.322972D+00
      2  -0.119215D+00  0.159026D+00  0.717587D+00  0.658616D+01 -0.251341D+00
      3   0.159026D+00 -0.578489D+00 -0.322972D+00 -0.251341D+00  0.139945D+01
               106           107           108           109           110 
      1   0.664609D+00  0.245210D+00 -0.348545D+00 -0.170000D+00 -0.341492D+00
      2   0.245210D+00  0.788063D+00  0.618084D+00 -0.341492D+00 -0.469142D+00
      3  -0.348545D+00  0.618084D+00 -0.197561D+00 -0.973308D+00  0.195310D-01
               111           112           113           114           115 
      1  -0.973308D+00 -0.823222D+00 -0.148350D+00  0.155571D+00 -0.152897D+01
      2   0.195310D-01 -0.148350D+00 -0.939876D-01 -0.957420D+00 -0.113463D+00
      3  -0.266936D+01  0.155571D+00 -0.957420D+00 -0.152385D+01 -0.513234D+00
               116           117           118           119           120 
      1  -0.113463D+00 -0.513234D+00  0.125423D+02 -0.694876D+00 -0.194657D+01
      2  -0.108330D+01 -0.334723D+00 -0.694876D+00  0.107935D+01 -0.106558D-01
      3  -0.334723D+00 -0.924776D+01 -0.194657D+01 -0.106558D-01  0.142709D+01
               121           122           123           124           125 
      1  -0.224807D+01  0.113784D+01  0.539923D+00 -0.175661D+00  0.195582D+00
      2   0.113784D+01 -0.111760D+00 -0.590202D-01  0.195582D+00  0.201078D+00
      3   0.539923D+00 -0.590202D-01 -0.844215D+00  0.947575D+00 -0.271137D+00
               126           127           128           129           130 
      1   0.947575D+00  0.154898D+01 -0.177301D+01 -0.162270D+00 -0.158583D+01
      2  -0.271137D+00 -0.177301D+01  0.225105D+01  0.203228D+00  0.201471D+01
      3  -0.747750D+00 -0.162270D+00  0.203228D+00  0.206899D+00  0.201851D+00
               131           132           133           134           135 
      1   0.201471D+01  0.201851D+00 -0.819362D-01  0.218091D+00 -0.498685D-01
      2  -0.884956D+01 -0.700879D+00  0.218091D+00 -0.764696D+00 -0.140548D+00
      3  -0.700879D+00 -0.956358D+00 -0.498685D-01 -0.140548D+00 -0.171876D-01
               136           137           138           139           140 
      1  -0.492342D+01 -0.381874D+01 -0.352333D+00 -0.375010D+01 -0.442298D+01
      2  -0.381874D+01 -0.349824D+01 -0.267428D+00 -0.442298D+01 -0.658404D+01
      3  -0.352333D+00 -0.267428D+00 -0.618565D+00 -0.402873D+00 -0.526741D+00
               141           142           143           144           145 
      1  -0.402873D+00 -0.292151D+00 -0.395494D+00 -0.933260D-01 -0.128129D+02
      2  -0.526741D+00 -0.395494D+00 -0.614490D+00 -0.100257D+00  0.145020D+01
      3  -0.832748D+00 -0.933260D-01 -0.100257D+00 -0.632150D-01  0.235608D+00
               146           147           148           149           150 
      1   0.145020D+01  0.235608D+00  0.149375D+01 -0.173287D+01 -0.181991D+00
      2  -0.947466D+00 -0.708623D-02 -0.173287D+01  0.540970D+00  0.510368D-01
      3  -0.708623D-02 -0.978728D+00 -0.181991D+00  0.510368D-01  0.156880D+00
               151           152           153           154           155 
      1   0.179324D+00 -0.195176D+00  0.352167D-01 -0.215770D+01  0.254645D+01
      2  -0.195176D+00  0.599615D-01  0.294626D-01  0.254645D+01 -0.277620D+01
      3   0.352167D-01  0.294626D-01  0.824289D-02  0.274928D+00 -0.266027D+00
               156           157           158           159           160 
      1   0.274928D+00  0.227003D+01 -0.373777D+01 -0.397260D+00  0.265195D+00
      2  -0.266027D+00 -0.373777D+01  0.956266D+01  0.912969D+00 -0.409217D+00
      3  -0.370408D+00 -0.397260D+00  0.912969D+00  0.100333D+01 -0.447596D-01
               161           162           163           164           165 
      1  -0.409217D+00 -0.447596D-01  0.336726D+01  0.229312D+01  0.131840D+00
      2   0.996639D+00  0.154659D+00  0.229312D+01  0.237044D+01  0.164735D+00
      3   0.154659D+00  0.104484D+00  0.131840D+00  0.164735D+00  0.399633D+00
               166           167           168           169           170 
      1   0.265916D+01  0.286006D+01  0.230120D+00  0.858926D-01  0.212062D+00
      2   0.286006D+01  0.564938D+01  0.453337D+00  0.212062D+00  0.528411D+00
      3   0.230120D+00  0.453337D+00  0.793400D+00 -0.106612D+00  0.324417D-01
               171           172           173           174           175 
      1  -0.106612D+00  0.130306D+02 -0.336591D+00  0.269754D+01 -0.948705D+00
      2   0.324417D-01 -0.336591D+00  0.823102D+00  0.115686D+00  0.899525D+00
      3   0.329624D-01  0.269754D+01  0.115686D+00  0.168094D+01  0.136170D+00
               176           177           178           179           180 
      1   0.899525D+00  0.136170D+00  0.849282D+00  0.293554D+00  0.688787D+00
      2  -0.281969D+00  0.486023D+00  0.293554D+00  0.228925D+00 -0.166503D+00
      3   0.486023D+00 -0.440630D+00  0.688787D+00 -0.166503D+00  0.666514D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.216418D+00 -0.533215D-01  0.162735D+01 -0.559601D+00  0.126548D+00
      2   0.401091D+00  0.128120D+01  0.785718D+00  0.583224D+00  0.136188D+01
      3  -0.344133D+01 -0.137469D+02 -0.136719D+01  0.341787D+01  0.235626D+00
                 6             7             8             9            10 
      1  -0.247258D+01  0.521606D+01  0.123401D+00 -0.237207D+00 -0.624935D+00
      2  -0.419591D+01 -0.842975D+01 -0.949443D+01 -0.179268D+01 -0.329217D+00
      3  -0.878656D+00  0.477065D+00 -0.151796D+01  0.479400D+01  0.186379D-01
                11            12            13            14            15 
      1   0.766957D-01 -0.208333D+01  0.478942D+00 -0.213071D+00 -0.190013D+01
      2   0.480412D-01 -0.103859D+01  0.113942D+01 -0.437649D+00 -0.149584D+01
      3   0.389444D+00  0.320485D+00  0.108400D+01  0.587886D+01 -0.579719D-01
                16            17            18            19            20 
      1  -0.717352D+01  0.363709D+01 -0.146235D+00  0.367432D+00  0.491651D-01
      2  -0.129557D+02 -0.492251D+00 -0.600414D+00  0.533458D+00 -0.509169D+00
      3  -0.180778D+01 -0.704643D-01  0.662898D+01 -0.330152D+01  0.627409D+01
                21            22            23            24            25 
      1  -0.301648D+00  0.444937D+00 -0.105017D+01  0.110044D+01  0.114851D+01
      2  -0.236039D+01 -0.679794D+00 -0.589308D+00  0.110572D+01 -0.145603D+02
      3   0.541259D+00  0.154835D+02 -0.661278D+00  0.810397D+00  0.737586D+00
                26            27            28            29            30 
      1   0.971631D+01  0.132749D+01 -0.207906D+00 -0.129300D+00  0.129858D+01
      2   0.756800D-01 -0.309576D+00 -0.958344D+00  0.339487D+00 -0.289572D+00
      3   0.103852D+01 -0.220585D+01  0.697123D+01 -0.518095D+01 -0.566614D+00
                31            32            33            34            35 
      1  -0.842148D+00  0.896953D-01 -0.220051D+01  0.435162D+01  0.617578D+00
      2   0.137412D+01  0.689450D+00  0.167536D+01 -0.139978D+02  0.203983D+01
      3   0.447868D+01 -0.633503D+01 -0.138787D+00 -0.155927D+01 -0.490282D+00
                36            37            38            39            40 
      1  -0.587527D+00  0.268618D-01  0.406806D-01 -0.174763D+01  0.791857D+00
      2   0.125991D+01  0.223812D+00  0.843959D+00  0.206248D+01 -0.371685D+00
      3  -0.532168D+01 -0.451928D+01 -0.950805D+01 -0.706748D+00  0.689381D+01
                41            42            43            44            45 
      1  -0.735950D-01 -0.137617D+01 -0.679522D+01  0.390519D+01  0.456866D+00
      2  -0.161868D+01  0.459839D+01 -0.307775D+01  0.106025D+02  0.217260D+01
      3  -0.816296D+00  0.858617D+00  0.985903D+00  0.144965D+01 -0.514143D+01
                46            47            48            49            50 
      1   0.226267D-01  0.462680D-01  0.635719D+00 -0.926065D-01 -0.159269D+01
      2  -0.295906D+00 -0.248782D-01  0.604007D+01 -0.222702D+01  0.166319D+00
      3   0.287609D+01 -0.617691D+01 -0.188885D-01  0.124690D+02  0.227364D+01
                51            52            53            54            55 
      1   0.131676D+01  0.209917D+01  0.115937D+02  0.123723D+01 -0.853478D-01
      2  -0.119044D+01  0.797691D+01 -0.269068D+01 -0.821758D+00  0.646060D+00
      3  -0.250351D+00  0.156766D+01 -0.251693D+00  0.171309D+01  0.448971D+01
                56            57            58            59            60 
      1  -0.614937D+00  0.515463D+00  0.427366D+00 -0.416583D+00 -0.524612D+01
      2   0.117952D+01 -0.217829D+01  0.117257D+01  0.513262D+01 -0.412896D+01
      3   0.141291D+01 -0.159253D+01  0.971233D+01 -0.127573D+02 -0.718190D+01
                61            62            63            64            65 
      1  -0.182415D+01 -0.562474D+00  0.615913D+00 -0.139138D+01  0.292015D+01
      2  -0.132206D+02 -0.763188D-01 -0.189392D+01  0.152619D+02 -0.187076D+00
      3  -0.117535D-01 -0.573557D+01  0.468244D+01  0.289039D+01 -0.641730D+01
                66            67            68            69            70 
      1  -0.134210D+01  0.291735D+00 -0.916779D+01 -0.776547D+01  0.860254D+00
      2   0.829204D+01  0.949282D+00 -0.512692D+01 -0.103756D+01  0.183253D+01
      3   0.281725D+00 -0.355997D-01  0.108357D+02  0.519183D+01 -0.160849D+01
                71            72            73            74            75 
      1   0.141717D+01  0.215382D+01 -0.285828D+01 -0.189569D+01 -0.118919D+01
      2  -0.258973D+01  0.736416D+01 -0.103569D+02  0.649821D+00  0.137620D+02
      3   0.504226D+01  0.121551D+01 -0.112858D+02 -0.538147D+01  0.297302D+01
                76            77            78            79            80 
      1  -0.269050D-02  0.785738D+01 -0.134172D+01  0.596721D-01  0.353971D+01
      2   0.403610D+00 -0.282588D+01  0.597114D+01  0.607662D+01  0.331911D+01
      3  -0.518301D+00  0.160371D+02  0.423252D+01  0.350612D+01  0.389089D+01
                81            82            83            84            85 
      1  -0.809200D+01  0.220815D+01 -0.229714D+01  0.459386D+00 -0.111586D+01
      2   0.174431D+02  0.246770D+01 -0.152156D+01 -0.116695D+01 -0.263699D+01
      3  -0.455991D+01 -0.333224D+01  0.299459D+01  0.221873D+00  0.341165D+01
                86            87            88            89            90 
      1   0.988423D+01  0.290806D+01  0.189890D+00  0.496672D+01  0.169677D+01
      2   0.655026D+01  0.502898D+01 -0.765430D+00  0.233428D+01  0.400362D+01
      3  -0.102319D+02 -0.628645D+01 -0.649239D+00 -0.526005D+01 -0.275555D+01
                91            92            93            94            95 
      1   0.371604D+00 -0.310527D+00  0.801069D+00  0.753190D-01  0.133644D+01
      2  -0.934397D+00  0.164944D+00  0.202383D+01 -0.461433D+00 -0.252362D+01
      3   0.347628D+01 -0.253729D+01 -0.126360D+00  0.246583D+01  0.139165D+02
                96            97            98            99           100 
      1  -0.262911D+01  0.694109D+00  0.126422D+01 -0.488529D+00 -0.123218D+01
      2  -0.297204D+01 -0.183665D+00 -0.180910D+01 -0.119596D+01  0.423594D+00
      3   0.277734D+01  0.450902D+00  0.293888D+01  0.162560D+01 -0.266768D+01
               101           102           103           104           105 
      1   0.354058D+00  0.509508D+00  0.152724D+00 -0.100051D+02 -0.324251D+01
      2   0.774677D+00 -0.700652D+00  0.112895D+01  0.174877D+00  0.310497D+01
      3   0.917900D+00  0.984601D-01  0.326258D+01 -0.188678D+02 -0.373009D+00
               106           107           108           109           110 
      1   0.140767D+00 -0.216945D+00 -0.104292D+01  0.963182D+00  0.170855D+01
      2  -0.132600D+01  0.134782D+01 -0.601868D+00 -0.427309D+01 -0.567445D+00
      3   0.839880D+00 -0.277483D+01 -0.207006D+01  0.945183D+00  0.827867D+00
               111           112           113           114           115 
      1   0.123996D+01  0.903979D+00  0.512031D+00  0.111368D+01  0.762542D+00
      2  -0.735970D+01 -0.126311D+01 -0.231330D+01 -0.373657D+01 -0.675003D+01
      3  -0.476820D+00  0.154916D+01  0.547689D-01  0.196378D+01 -0.513909D+00
               116           117           118           119           120 
      1   0.430400D+01  0.455206D+01  0.153084D+01 -0.210420D+01 -0.260630D+00
      2  -0.131145D+01 -0.236970D+02  0.990913D+01 -0.114035D+01  0.493528D+01
      3   0.215383D+01  0.349730D+00  0.661833D+01 -0.686065D+01 -0.521573D+00
               121           122           123           124           125 
      1  -0.151706D+01  0.124470D+00 -0.693564D+00 -0.237827D+00  0.421310D+00
      2  -0.120026D+01  0.107133D+01 -0.213040D+01  0.520836D+00 -0.646239D+00
      3  -0.285209D+01  0.249057D+00  0.792303D-03 -0.100644D+01 -0.120931D+00
               126           127           128           129           130 
      1   0.563157D+00  0.281113D-01 -0.173971D+00  0.151755D+01  0.469062D-01
      2  -0.120625D+01  0.670500D+00 -0.412733D+00  0.174361D+00 -0.582723D+00
      3   0.114312D+01 -0.599313D+01  0.388686D+01  0.364208D+00  0.713833D+01
               131           132           133           134           135 
      1   0.362700D+00 -0.419016D+01 -0.530116D+00  0.200095D+01 -0.152579D+00
      2   0.985819D+00 -0.344323D+00 -0.121851D+01  0.194088D-01 -0.690159D-01
      3  -0.910563D+01 -0.961308D+00  0.660967D+00 -0.636516D+00  0.234699D+00
               136           137           138           139           140 
      1   0.658761D-01  0.263915D+00 -0.231635D+01 -0.769975D-01  0.248174D+00
      2   0.579442D-01  0.110665D+00  0.300704D+01  0.400335D+00  0.786710D+00
      3  -0.149612D+01 -0.470061D+01 -0.164985D+00 -0.356646D+01 -0.110788D+02
               141           142           143           144           145 
      1  -0.324095D+01  0.922608D+00  0.142316D+01 -0.166978D+00 -0.298419D-01
      2   0.340204D+01 -0.887475D+00 -0.711995D+00  0.133630D+00 -0.262389D+00
      3  -0.694511D+00 -0.326910D+00 -0.107265D+01 -0.513294D-01  0.885627D+00
               146           147           148           149           150 
      1  -0.871585D-01  0.706059D+00  0.309301D-01 -0.697468D-02 -0.414105D+00
      2  -0.775562D-01  0.622288D+01  0.700442D+00 -0.121794D+00 -0.906866D+00
      3  -0.534187D+01  0.102870D+00 -0.398206D+01  0.174519D+01  0.117128D+00
               151           152           153           154           155 
      1  -0.416098D+00  0.436797D+00 -0.166671D-02 -0.678766D-01 -0.110799D+00
      2  -0.276094D+01  0.218159D+00 -0.585759D-01 -0.109743D+00  0.129276D+00
      3  -0.837069D+00  0.233491D+00 -0.388980D-01  0.748181D+00 -0.244964D+01
               156           157           158           159           160 
      1   0.158375D+01  0.122541D+00  0.179772D+00 -0.444271D+01 -0.695645D+00
      2   0.145220D+01  0.199504D+00 -0.120573D+01 -0.292127D+01 -0.491318D+00
      3  -0.912453D-01 -0.118956D+01  0.139327D+02  0.116453D+01 -0.138486D+00
               161           162           163           164           165 
      1   0.182401D+01 -0.335365D+00  0.159166D+00  0.434516D+00 -0.237282D+01
      2   0.506307D+00 -0.283170D+00 -0.112486D+01 -0.329345D+00  0.830144D+00
      3   0.159690D+01  0.144060D+00  0.965980D+01  0.361679D+01  0.980103D-01
               166           167           168           169           170 
      1   0.168778D+00  0.837812D-01 -0.310193D+01  0.359054D+00  0.192208D+01
      2  -0.564270D+00 -0.578751D+00  0.132062D+01 -0.151529D+01 -0.159730D+00
      3   0.763657D+01  0.528856D+01  0.446991D+00  0.502022D-01  0.484384D+00
               171           172           173           174           175 
      1  -0.273311D-01  0.537481D+00  0.188305D+01  0.719303D+00  0.642510D+00
      2   0.154212D+00 -0.123219D+02  0.564674D+00  0.363771D+01  0.193582D+01
      3  -0.195205D+00 -0.385590D+01 -0.493636D+01 -0.683909D+00 -0.107562D+01
               176           177           178           179           180 
      1   0.404579D+00 -0.312789D+00  0.118185D+01  0.583622D+00 -0.100253D-01
      2   0.422363D+00 -0.114703D+01 -0.499355D-01 -0.794306D+00  0.368242D+00
      3  -0.280602D+00 -0.111030D+01 -0.816947D+00 -0.897874D+00 -0.191317D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.107055D+02  0.212220D+02  0.205274D+01 -0.206046D+02  0.121045D+02
      2  -0.113196D+02 -0.141818D+02 -0.567709D+00  0.181709D+02 -0.175777D+02
      3   0.614097D+00 -0.704012D+01 -0.148503D+01  0.243368D+01  0.547324D+01
      4   0.172754D+02 -0.584707D+01 -0.892406D+00  0.117709D+02  0.415023D+01
      5   0.142234D+01 -0.463539D+00 -0.988960D-01 -0.238874D+00  0.296695D+01
      6  -0.172923D+01 -0.418001D+00 -0.345681D+01  0.234731D+01 -0.501618D+01
                 6             7             8             9            10 
      1   0.197948D+01 -0.210611D+01  0.130687D+01 -0.595132D+01 -0.196172D+01
      2  -0.303600D+01  0.302022D+01 -0.494826D+01 -0.179601D+01  0.815887D+00
      3   0.105652D+01 -0.914110D+00  0.364139D+01  0.774733D+01  0.114584D+01
      4   0.297518D+01 -0.167785D+00  0.422390D+01 -0.160698D+02 -0.134339D+02
      5  -0.887000D+01  0.127269D+02 -0.165931D+02 -0.435832D+01 -0.611683D+00
      6   0.577898D+01 -0.776468D+01  0.168697D+02  0.167056D+01  0.428867D+00
                11            12            13            14            15 
      1  -0.171370D+02 -0.205388D+01  0.604136D+01  0.398688D+01  0.204159D+01
      2   0.133799D+02  0.838652D-01 -0.162814D+02 -0.756491D+01 -0.158235D+01
      3   0.375714D+01  0.197002D+01  0.102401D+02  0.357803D+01 -0.459236D+00
      4  -0.110518D+02 -0.892762D+00  0.547095D+01 -0.139271D+02 -0.123536D+01
      5  -0.101095D+01 -0.191139D+01  0.714326D+00 -0.119292D+01  0.282383D+00
      6   0.455906D+00  0.510547D+01 -0.385251D+01 -0.260496D+01  0.433211D+01
                16            17            18            19            20 
      1   0.300102D+00  0.192843D+01 -0.151909D+02 -0.198805D+02  0.373864D+01
      2  -0.296325D+01 -0.339405D+01  0.251075D+01  0.513060D+01 -0.330787D+01
      3   0.266314D+01  0.146562D+01  0.126802D+02  0.147499D+02 -0.430767D+00
      4   0.102710D+01 -0.115880D+01 -0.276016D+01  0.196109D+01  0.181721D+01
      5   0.610673D+00 -0.106391D+01  0.306454D+00  0.175672D+01 -0.485070D-01
      6   0.720337D+01  0.120506D+02  0.488929D+00 -0.142890D+01 -0.418716D+00
                21            22            23            24            25 
      1   0.155527D+01 -0.577506D+00 -0.991242D+01 -0.362737D+00  0.787112D+00
      2  -0.329052D+00  0.486508D+01  0.161752D+02  0.335199D+01  0.136237D+01
      3  -0.122621D+01 -0.428757D+01 -0.626277D+01 -0.298926D+01 -0.214948D+01
      4   0.239243D-01 -0.121914D+02  0.122992D+01 -0.765171D+00 -0.218479D+01
      5   0.964911D+00 -0.318142D+01 -0.484553D+00  0.215490D+01  0.852309D+01
      6  -0.147264D+01  0.136119D+01  0.215911D+01 -0.241502D+01 -0.172451D+01
                26            27            28            29            30 
      1  -0.833942D+00 -0.602995D+01  0.123616D+02  0.108522D+02  0.599645D+00
      2   0.214876D+01 -0.521595D+01 -0.961994D+01 -0.824169D+01  0.414375D-01
      3  -0.131482D+01  0.112459D+02 -0.274164D+01 -0.261047D+01 -0.641082D+00
      4  -0.714893D+00  0.122492D+01  0.599078D+01 -0.178419D+02 -0.176528D+01
      5   0.650064D+00 -0.713383D+00 -0.124863D+00 -0.173589D+01 -0.246899D+01
      6   0.355358D+01 -0.198407D+01 -0.500748D+00 -0.339969D+00 -0.304237D+01
                31            32            33            34            35 
      1  -0.385585D+00  0.936168D+01  0.187189D+01 -0.139182D+00  0.154733D+01
      2   0.926592D+01 -0.154737D+02 -0.300081D+01  0.227028D+01 -0.514373D+01
      3  -0.888033D+01  0.611206D+01  0.112892D+01 -0.213110D+01  0.359641D+01
      4   0.967609D+01  0.144306D+02  0.886702D+00 -0.627822D+00  0.735327D+00
      5   0.855417D+00  0.102542D+01  0.114499D+01  0.418399D+01  0.518298D+01
      6   0.223276D+01 -0.396081D+01  0.542551D+01 -0.296979D+01  0.173301D+02
                36            37            38            39            40 
      1  -0.159306D+02 -0.159770D+01 -0.238104D+02 -0.281353D+01  0.273444D+02
      2   0.418621D+01 -0.869528D+00  0.161714D+02  0.725317D+00 -0.259842D+02
      3   0.117444D+02  0.246723D+01  0.763898D+01  0.208821D+01 -0.136017D+01
      4   0.610072D+01 -0.147564D+02  0.364239D+01  0.174331D+00  0.415675D+00
      5   0.183325D+01 -0.104220D+01  0.612898D-01  0.464181D+01 -0.231130D+01
      6   0.286733D+01 -0.342239D+00  0.105210D+01  0.480713D+01 -0.344277D+01
                41            42            43            44            45 
      1   0.600576D+01  0.436455D+00  0.264798D+01  0.928905D+00  0.185743D+01
      2  -0.975812D+01 -0.732542D+00 -0.479276D+01 -0.302433D+01 -0.786865D+01
      3   0.375236D+01  0.296087D+00  0.214477D+01  0.209543D+01  0.601122D+01
      4  -0.111345D+02 -0.396814D+01 -0.117555D+01 -0.428701D+01  0.170795D+02
      5  -0.379787D+01  0.967551D+01  0.196378D+02  0.169645D+02  0.437442D+01
      6  -0.327953D+01  0.337354D+01  0.889981D+01  0.124592D+02  0.600841D-01
                46            47            48            49            50 
      1  -0.109318D+02  0.459306D+01  0.791341D+00 -0.904179D+01 -0.234841D+02
      2   0.805201D+01 -0.332471D+01 -0.328807D+00  0.902728D+01  0.201585D+02
      3   0.287982D+01 -0.126835D+01 -0.462534D+00  0.145093D-01  0.332562D+01
      4   0.232049D+01  0.213304D+02  0.746643D+00 -0.217989D+02  0.355141D+01
      5   0.912480D+00  0.633045D+00  0.139329D+02 -0.561659D+01  0.843432D+00
      6   0.704749D+00 -0.140806D-02 -0.176346D+01  0.133691D+01  0.215435D+01
                51            52            53            54            55 
      1  -0.413884D+01 -0.379309D+00 -0.399956D+01  0.161184D+02  0.123173D+02
      2   0.451288D+01  0.163147D+01  0.313606D+01 -0.187530D+02 -0.468330D+01
      3  -0.374037D+00 -0.125216D+01  0.863498D+00  0.263459D+01 -0.763402D+01
      4   0.133577D+01 -0.638838D+01  0.133905D+01 -0.448201D+01 -0.605527D+01
      5  -0.225101D+01  0.371329D+02 -0.410377D+01 -0.119377D+01  0.189774D+00
      6  -0.286672D+01 -0.285779D+01  0.407167D+01 -0.195295D+01  0.193103D+01
                56            57            58            59            60 
      1  -0.275349D+01  0.139710D+01 -0.790742D+01  0.341593D+01  0.496019D+01
      2   0.286712D+01 -0.275073D+00  0.108993D+02 -0.120510D+02 -0.847577D+01
      3  -0.113626D+00 -0.112202D+01 -0.299186D+01  0.863506D+01  0.351558D+01
      4  -0.753096D+01  0.486289D+01 -0.742434D+01  0.258673D+02  0.119887D+02
      5   0.442822D+01 -0.169435D+02  0.869763D+01  0.113367D+02 -0.110045D+02
      6   0.929301D+00 -0.147817D+01  0.405030D+01 -0.572903D+01 -0.987030D+00
                61            62            63            64            65 
      1   0.331925D+00  0.266903D+01 -0.856766D+01 -0.425439D+02  0.983461D+00
      2   0.303380D+01 -0.464056D+01  0.101794D+02  0.204428D+02 -0.205249D+00
      3  -0.336573D+01  0.197153D+01 -0.161176D+01  0.221011D+02 -0.778211D+00
      4   0.618137D+01  0.103592D+02 -0.509469D+01  0.378014D+01  0.924763D+01
      5  -0.356302D+02 -0.572447D+01  0.411541D+01 -0.189331D+02 -0.291517D+01
      6  -0.296765D+01 -0.843276D+01  0.406264D+01 -0.136597D+01  0.415083D+01
                66            67            68            69            70 
      1  -0.629127D+01 -0.116410D+01  0.517824D+01  0.275780D+01 -0.177395D+01
      2   0.160490D+01  0.122328D+01  0.329078D+01  0.165870D+00 -0.693402D+01
      3   0.468638D+01 -0.591818D-01 -0.846901D+01 -0.292367D+01  0.870797D+01
      4  -0.322207D+01  0.909032D+01 -0.183396D+02 -0.512705D+01 -0.445430D+01
      5   0.825523D+01 -0.625220D+01 -0.271852D+01 -0.474018D+01  0.240511D+02
      6  -0.705367D+00  0.271460D+01 -0.145645D+02 -0.905133D+00 -0.624731D+00
                71            72            73            74            75 
      1   0.122089D+01 -0.697760D+01 -0.526697D+02  0.807427D+01  0.128265D+02
      2   0.134421D+01 -0.162130D+02  0.293968D+02 -0.272272D+01  0.306050D+01
      3  -0.256510D+01  0.231906D+02  0.232730D+02 -0.535155D+01 -0.158870D+02
      4  -0.714054D+01 -0.430068D+01  0.990214D+01  0.710892D+01 -0.328647D+01
      5  -0.399799D+01  0.213127D+02  0.151837D+02 -0.597793D+01  0.177751D+02
      6   0.364571D+01 -0.536263D+01 -0.603460D+01 -0.331027D+01  0.282832D+01
                76            77            78            79            80 
      1   0.148950D+02  0.724969D+01  0.901749D+00  0.283301D+01  0.209658D+01
      2  -0.105407D+02 -0.150567D+02  0.552723D+01  0.549074D+01  0.319785D+00
      3  -0.435436D+01  0.780696D+01 -0.642898D+01 -0.832375D+01 -0.241637D+01
      4   0.641988D+01 -0.231319D+02 -0.850708D+01 -0.657551D+01 -0.768620D+01
      5  -0.117084D+02 -0.103569D+02  0.149839D+02  0.208366D+02  0.954885D+01
      6  -0.347655D+01  0.742978D+01  0.540512D+01  0.380957D+01  0.564758D+01
                81            82            83            84            85 
      1   0.252912D+02 -0.898586D+00  0.315646D+01  0.325328D+01  0.727295D+01
      2  -0.435192D-01  0.125014D+01 -0.146081D+01 -0.219749D+00 -0.473176D+01
      3  -0.252477D+02 -0.351553D+00 -0.169564D+01 -0.303353D+01 -0.254119D+01
      4   0.120785D+02  0.217281D+01 -0.305837D+01  0.468126D-01  0.170151D+01
      5   0.338793D+01  0.691068D+00  0.111504D+01 -0.134989D+01  0.548877D+01
      6  -0.915071D+01  0.225101D+01 -0.259221D+01 -0.775280D+00 -0.194268D+00
                86            87            88            89            90 
      1  -0.100332D+02 -0.490973D+01  0.279737D+01 -0.321679D+01 -0.503793D+01
      2   0.515355D+01 -0.511712D+00 -0.175431D+01 -0.435998D+00 -0.157943D+01
      3   0.487963D+01  0.542144D+01 -0.104306D+01  0.365279D+01  0.661736D+01
      4   0.178853D+02  0.107723D+02  0.932920D+00  0.943695D+01  0.420725D+01
      5   0.844887D+01  0.904795D+01  0.306084D+01  0.391663D+01  0.703155D+01
      6   0.145109D+02  0.110842D+02  0.185397D+00  0.910390D+01  0.463135D+01
                91            92            93            94            95 
      1   0.204092D+01 -0.336138D+01 -0.779331D+00 -0.257384D+01 -0.111150D+02
      2   0.286322D+01 -0.185781D+00  0.209378D+00 -0.259728D+01  0.250715D+02
      3  -0.490414D+01  0.354716D+01  0.569953D+00  0.517112D+01 -0.139565D+02
      4  -0.727293D+01  0.106170D+02  0.134732D+01  0.124532D+02 -0.304811D+02
      5  -0.202383D+01  0.122894D+01  0.537214D+01  0.101874D+01 -0.504395D+01
      6   0.173591D+01 -0.127970D+01  0.415836D-01 -0.137519D+01  0.727645D+01
                96            97            98            99           100 
      1  -0.234358D+01 -0.502839D+00 -0.232061D+01 -0.239284D+01  0.472031D+01
      2   0.423396D+01 -0.153591D-01  0.297802D+01  0.235140D+01 -0.350097D+00
      3  -0.189039D+01  0.518198D+00 -0.657404D+00  0.414399D-01 -0.437021D+01
      4  -0.563219D+01  0.138788D+01 -0.571276D+01 -0.483611D+01  0.262009D+01
      5  -0.624939D+01  0.556476D+01 -0.423880D+01 -0.360798D+01 -0.110671D+01
      6   0.594721D+01 -0.123547D+01  0.792155D+01  0.313487D+01 -0.514525D+00
               101           102           103           104           105 
      1   0.329258D+01 -0.205127D+01  0.639657D+01 -0.109554D+02  0.151695D+01
      2  -0.179995D+01 -0.316616D+00 -0.236047D+01  0.238382D+02  0.169977D+01
      3  -0.149263D+01  0.236788D+01 -0.403610D+01 -0.128828D+02 -0.321671D+01
      4   0.239815D+01  0.647701D+00  0.845797D+01  0.330000D+02 -0.109590D+01
      5  -0.305846D+00 -0.151440D+01 -0.410829D+01 -0.143112D+00  0.685968D+01
      6   0.370126D+00 -0.103686D+01 -0.174213D+01 -0.140658D+02  0.514819D+01
               106           107           108           109           110 
      1   0.191313D+01  0.116371D+01 -0.449780D+01 -0.159491D+01 -0.165544D+01
      2  -0.132569D+01  0.188515D+01  0.215341D+01 -0.277490D+01  0.229002D+00
      3  -0.587437D+00 -0.304886D+01  0.234440D+01  0.436981D+01  0.142644D+01
      4   0.235081D+01  0.453944D+01  0.243875D+01 -0.178379D+01 -0.163767D+01
      5  -0.846622D+00  0.274134D+01  0.297817D+00 -0.591885D+00  0.924201D+00
      6  -0.462309D-01  0.350850D+01  0.405338D+00  0.850051D+00  0.256627D+01
               111           112           113           114           115 
      1  -0.121550D+02 -0.337606D+01 -0.510319D+01 -0.363975D+01 -0.940539D+01
      2  -0.230207D+01  0.207576D+01  0.140771D+01 -0.236810D+01  0.278579D+01
      3   0.144571D+02  0.130029D+01  0.369548D+01  0.600785D+01  0.661960D+01
      4  -0.628422D+00  0.379547D+00 -0.199279D+00 -0.361930D+01 -0.155351D+01
      5  -0.370729D+01  0.264045D+01 -0.238341D+01 -0.580351D+01  0.577729D+01
      6   0.539294D-02  0.904771D+00  0.160178D+01  0.730274D+01 -0.714501D-01
               116           117           118           119           120 
      1  -0.155019D+01 -0.297311D+02  0.810711D+02 -0.571477D+01 -0.831413D+01
      2  -0.147350D+01 -0.164646D+02 -0.451629D+02  0.330234D+01  0.795810D+01
      3   0.302369D+01  0.461957D+02 -0.359082D+02  0.241243D+01  0.356023D+00
      4  -0.471557D+01 -0.318354D+01 -0.151348D+01  0.106060D+02 -0.756181D-01
      5  -0.104982D+01 -0.326981D+02 -0.312473D+02  0.151366D+01  0.151002D+02
      6   0.625753D+01 -0.252624D-01  0.212000D+01 -0.350349D+01  0.360100D+00
               121           122           123           124           125 
      1  -0.127773D+02  0.644827D+01  0.765862D+00 -0.114390D+00  0.154852D+00
      2   0.710646D+01 -0.134936D+01 -0.201609D+01  0.261234D+01 -0.485485D+00
      3   0.567085D+01 -0.509891D+01  0.125023D+01 -0.249795D+01  0.330633D+00
      4   0.104376D+02 -0.184320D+01 -0.778600D+00  0.948194D+00  0.554420D+00
      5   0.607046D+01 -0.218399D+01 -0.510844D+01  0.109118D+02 -0.172761D+01
      6  -0.316648D+01  0.641816D+00  0.107374D+01  0.153741D+00  0.691202D+00
               126           127           128           129           130 
      1   0.429091D+01 -0.542449D+01  0.900459D+01  0.935066D+00  0.753450D+01
      2  -0.537494D+01  0.712357D+01 -0.113889D+02 -0.707535D+00 -0.962159D+01
      3   0.108402D+01 -0.169908D+01  0.238433D+01 -0.227531D+00  0.208709D+01
      4  -0.171170D+01 -0.358740D+01  0.704533D+01  0.598394D+00  0.532276D+01
      5  -0.515184D+01 -0.353892D+00  0.619310D+00  0.112990D+01  0.489686D+00
      6   0.555966D+00  0.957494D+00 -0.123432D+01 -0.186533D+01 -0.115016D+01
               131           132           133           134           135 
      1  -0.340106D+02 -0.300687D+01  0.832034D+00 -0.288416D+01 -0.147147D+01
      2   0.467290D+02  0.286605D+01 -0.112647D+01  0.380891D+01  0.192985D+01
      3  -0.127184D+02  0.140824D+00  0.294434D+00 -0.924756D+00 -0.458381D+00
      4   0.138382D+01  0.257346D+00  0.456815D+00  0.209171D+00 -0.140502D+01
      5   0.337926D+00  0.253095D-01  0.755086D+00 -0.770532D+00 -0.148201D+00
      6   0.512436D+01  0.689090D+01 -0.355496D+00  0.229677D+01  0.752640D+00
               136           137           138           139           140 
      1   0.221784D+02  0.138365D+02  0.128426D+01  0.938309D+01  0.365566D+01
      2  -0.422115D+01  0.942963D+00 -0.508418D+00  0.634698D+01  0.166630D+02
      3  -0.179572D+02 -0.147794D+02 -0.775839D+00 -0.157301D+02 -0.203186D+02
      4   0.330601D+02  0.300298D+02  0.218425D+01  0.337140D+02  0.439925D+02
      5   0.343018D+01  0.249307D+01  0.601178D+01  0.332526D+01  0.385723D+01
      6   0.143252D+01  0.127191D+01  0.322735D+01  0.213480D+01  0.296222D+01
               141           142           143           144           145 
      1   0.354516D+00  0.710522D+00  0.165988D+00 -0.241442D+00  0.966712D+02
      2   0.392616D+00  0.434572D+00  0.124171D+01  0.954603D+00 -0.542829D+02
      3  -0.747133D+00 -0.114509D+01 -0.140770D+01 -0.713161D+00 -0.423884D+02
      4   0.340704D+01  0.305882D+01  0.363767D+01  0.214346D+01 -0.159560D+02
      5   0.544407D+01  0.162291D+01  0.169201D+01  0.697925D+00 -0.180142D+01
      6   0.565053D+01  0.135197D+01  0.222774D+01  0.861962D+00 -0.109676D+01
               146           147           148           149           150 
      1  -0.981493D+01 -0.158516D+01 -0.936744D+01  0.994352D+01  0.785450D+00
      2   0.478277D+01  0.106910D+01  0.401235D+01 -0.452855D+01 -0.641458D+00
      3   0.503216D+01  0.516063D+00  0.535509D+01 -0.541498D+01 -0.143993D+00
      4   0.101985D+02  0.731678D-01  0.163790D+02 -0.525613D+01 -0.448978D+00
      5  -0.115525D-01  0.104186D+02  0.145236D+01 -0.373459D+00 -0.135320D+01
      6   0.353514D-01 -0.955277D+00 -0.147835D+00 -0.123163D+00  0.160190D+01
               151           152           153           154           155 
      1  -0.141447D+01  0.793239D+00  0.254540D+01  0.488734D+01 -0.423724D+01
      2   0.756165D+00 -0.450166D+00 -0.167386D+01  0.383618D+01 -0.585946D+01
      3   0.658306D+00 -0.343072D+00 -0.871541D+00 -0.872352D+01  0.100967D+02
      4   0.152170D+01 -0.554920D+00 -0.566424D+00 -0.179138D+02  0.228704D+02
      5   0.206592D+01 -0.378328D+00 -0.256361D+00 -0.176826D+01  0.189339D+01
      6  -0.205457D+00  0.736359D+00  0.153303D+00  0.130213D+01 -0.144704D+01
               156           157           158           159           160 
      1  -0.486147D+00  0.938197D+00 -0.168296D+02 -0.161710D+01  0.444784D-01
      2  -0.153547D+00 -0.119381D+02  0.403946D+02  0.262823D+01 -0.107323D+01
      3   0.639694D+00  0.109999D+02 -0.235650D+02 -0.101113D+01  0.102875D+01
      4   0.209078D+01  0.240318D+02 -0.476016D+02 -0.442688D+01  0.251893D+01
      5   0.365569D+01  0.225566D+01 -0.406521D+01 -0.497067D+01  0.109366D+01
      6  -0.229326D+01 -0.227103D+01  0.559733D+01  0.750578D+01 -0.116775D+01
               161           162           163           164           165 
      1  -0.157453D+01 -0.156396D+01 -0.472191D+01 -0.675333D+01 -0.732281D+00
      2   0.362242D+01  0.217427D+01  0.641351D+01  0.960003D+01  0.561480D+00
      3  -0.204789D+01 -0.610307D+00 -0.169160D+01 -0.284671D+01  0.170802D+00
      4  -0.508182D+01 -0.183998D+01  0.854607D+01  0.835747D+01  0.492810D+00
      5  -0.110304D+01 -0.828077D+00  0.417017D+00  0.290262D+00  0.205989D+01
      6   0.290815D+01  0.134289D+01  0.727653D+00  0.125464D+01  0.219187D+01
               166           167           168           169           170 
      1  -0.793212D+01 -0.201939D+02 -0.201442D+01 -0.458129D+00 -0.167111D+01
      2   0.110449D+02  0.272717D+02  0.165901D+01  0.997581D+00  0.221444D+01
      3  -0.311274D+01 -0.707783D+01  0.355403D+00 -0.539452D+00 -0.543330D+00
      4   0.852666D+01  0.839728D+01  0.518324D+00  0.668408D+00  0.810828D+00
      5   0.331388D+00  0.559318D+00  0.150373D+01  0.776159D+00  0.656643D+00
      6   0.129482D+01  0.263234D+01  0.492025D+01  0.282458D+00  0.141618D+01
               171           172           173           174           175 
      1  -0.142860D+00  0.706896D+02 -0.267652D+01  0.115740D+02 -0.451787D+01
      2   0.896864D+00 -0.397494D+02  0.983890D+00 -0.910911D+01  0.856418D+00
      3  -0.754004D+00 -0.309402D+02  0.169263D+01 -0.246492D+01  0.366145D+01
      4   0.188972D+01 -0.472683D+01  0.752800D+01  0.105596D+00  0.873017D+01
      5   0.320781D+00  0.348572D+02 -0.994456D-01  0.149360D+02  0.769595D-01
      6   0.476764D+00 -0.142845D+01  0.245869D+01  0.277607D+00  0.169688D+01
               176           177           178           179           180 
      1   0.373427D+01  0.190670D+01  0.359250D+01  0.232066D+01  0.278422D+01
      2  -0.168768D+01 -0.116399D+01 -0.391386D+01 -0.457780D+00 -0.319366D+01
      3  -0.204659D+01 -0.742708D+00  0.321364D+00 -0.186288D+01  0.409438D+00
      4  -0.134451D+01  0.271871D+01  0.207471D+01  0.120658D+01 -0.912792D+00
      5   0.336805D+01 -0.771577D+00  0.870883D+01  0.276129D-01  0.453317D+01
      6  -0.114938D+00  0.199296D+01  0.734044D+00  0.156616D+01 -0.357410D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 11:09:52 2021, MaxMem=  5368709120 cpu:            9992.5 elap:            1251.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.42837 -10.33176 -10.30666 -10.30240 -10.30124
 Alpha  occ. eigenvalues --  -10.30105 -10.30020 -10.29880 -10.29036  -0.98825
 Alpha  occ. eigenvalues --   -0.94860  -0.85757  -0.84064  -0.81199  -0.72574
 Alpha  occ. eigenvalues --   -0.69836  -0.66441  -0.61410  -0.57945  -0.54815
 Alpha  occ. eigenvalues --   -0.53948  -0.52852  -0.51088  -0.50099  -0.49590
 Alpha  occ. eigenvalues --   -0.46958  -0.45436  -0.44287  -0.41989  -0.41479
 Alpha  occ. eigenvalues --   -0.33380  -0.32726  -0.32501
 Alpha virt. eigenvalues --    0.05459   0.05794   0.08460   0.10627   0.11044
 Alpha virt. eigenvalues --    0.13037   0.13413   0.13648   0.14860   0.16196
 Alpha virt. eigenvalues --    0.17347   0.18894   0.19410   0.20182   0.21264
 Alpha virt. eigenvalues --    0.22247   0.22394   0.22785   0.23566   0.24271
 Alpha virt. eigenvalues --    0.24818   0.25926   0.26235   0.27233   0.28121
 Alpha virt. eigenvalues --    0.29959   0.30098   0.30723   0.31356   0.32417
 Alpha virt. eigenvalues --    0.32693   0.33499   0.33852   0.34415   0.35971
 Alpha virt. eigenvalues --    0.36131   0.36772   0.37270   0.37698   0.38296
 Alpha virt. eigenvalues --    0.39386   0.39571   0.40197   0.40448   0.41095
 Alpha virt. eigenvalues --    0.41669   0.42355   0.43978   0.44319   0.44400
 Alpha virt. eigenvalues --    0.45285   0.45759   0.45818   0.46802   0.47344
 Alpha virt. eigenvalues --    0.47508   0.47649   0.47875   0.48504   0.49284
 Alpha virt. eigenvalues --    0.49684   0.50062   0.50638   0.50998   0.51671
 Alpha virt. eigenvalues --    0.52135   0.53081   0.53337   0.54338   0.55923
 Alpha virt. eigenvalues --    0.56383   0.56495   0.57002   0.58590   0.59370
 Alpha virt. eigenvalues --    0.59854   0.60132   0.60873   0.62051   0.63597
 Alpha virt. eigenvalues --    0.64836   0.65306   0.65841   0.66255   0.67193
 Alpha virt. eigenvalues --    0.68363   0.69020   0.69739   0.70473   0.70583
 Alpha virt. eigenvalues --    0.71593   0.71999   0.73992   0.74871   0.75914
 Alpha virt. eigenvalues --    0.76890   0.78285   0.79136   0.79439   0.82243
 Alpha virt. eigenvalues --    0.82536   0.83478   0.84504   0.86032   0.86575
 Alpha virt. eigenvalues --    0.87572   0.89548   0.91193   0.92163   0.92853
 Alpha virt. eigenvalues --    0.97074   0.98294   0.99231   1.02486   1.03672
 Alpha virt. eigenvalues --    1.04896   1.05137   1.06926   1.07248   1.07937
 Alpha virt. eigenvalues --    1.08273   1.10150   1.12583   1.13237   1.13965
 Alpha virt. eigenvalues --    1.15322   1.16367   1.17661   1.18883   1.21184
 Alpha virt. eigenvalues --    1.22670   1.23841   1.24490   1.25839   1.26985
 Alpha virt. eigenvalues --    1.29009   1.30989   1.31970   1.32543   1.33752
 Alpha virt. eigenvalues --    1.34984   1.35638   1.37018   1.41415   1.43154
 Alpha virt. eigenvalues --    1.43469   1.46730   1.48694   1.50473   1.52641
 Alpha virt. eigenvalues --    1.53414   1.56606   1.60409   1.62165   1.66088
 Alpha virt. eigenvalues --    1.67001   1.69628   1.70151   1.71586   1.73614
 Alpha virt. eigenvalues --    1.73850   1.77950   1.79926   1.81722   1.81874
 Alpha virt. eigenvalues --    1.83821   1.87189   1.88600   1.91972   1.93419
 Alpha virt. eigenvalues --    1.96106   1.96986   1.98724   1.99710   2.01222
 Alpha virt. eigenvalues --    2.03727   2.05121   2.06736   2.07705   2.09589
 Alpha virt. eigenvalues --    2.10662   2.11567   2.13572   2.15390   2.15870
 Alpha virt. eigenvalues --    2.17563   2.18158   2.21105   2.21390   2.25703
 Alpha virt. eigenvalues --    2.26743   2.29484   2.30991   2.32564   2.35109
 Alpha virt. eigenvalues --    2.37852   2.40281   2.41005   2.44682   2.45682
 Alpha virt. eigenvalues --    2.47627   2.49437   2.52115   2.52646   2.54179
 Alpha virt. eigenvalues --    2.56607   2.58440   2.62578   2.64875   2.66939
 Alpha virt. eigenvalues --    2.69071   2.74576   2.77216   2.78791   2.86964
 Alpha virt. eigenvalues --    2.92396   2.93511   2.94820   2.96455   2.98021
 Alpha virt. eigenvalues --    3.00188   3.04662   3.08090   3.12138   3.15043
 Alpha virt. eigenvalues --    3.17109   3.21297   3.23020   3.25565   3.30656
 Alpha virt. eigenvalues --    3.31857   3.43257   3.49274   3.72085   3.80416
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.776123  -0.378502   0.213221  -0.234779   0.554932   0.008476
     2  C   -0.378502   7.346860  -0.885113  -0.019441  -0.097410   0.455382
     3  C    0.213221  -0.885113   9.376080  -0.414025   0.420396  -0.209089
     4  C   -0.234779  -0.019441  -0.414025   7.491011  -0.345209   0.477216
     5  C    0.554932  -0.097410   0.420396  -0.345209   6.281132   0.043952
     6  C    0.008476   0.455382  -0.209089   0.477216   0.043952   6.202219
     7  C    0.035146  -0.395242   0.186415  -0.438130   0.047997   0.038651
     8  N    0.002516  -0.227267   0.289354  -0.080611  -0.001587   0.000882
     9  C   -0.006010  -0.036583  -0.055590   0.014834  -0.002044   0.004019
    10  H    0.003220   0.029786  -0.191371   0.005822   0.001842   0.000316
    11  H    0.011580   0.140702  -0.192961   0.010397   0.002924  -0.002043
    12  H    0.001134   0.027570  -0.098569   0.001512  -0.000003   0.000181
    13  H   -0.000609  -0.021105   0.033937   0.010480  -0.000793   0.000577
    14  H    0.000247  -0.020216   0.009541  -0.012276   0.000067   0.000051
    15  H    0.167774   0.094291  -0.924305   0.139252  -0.346375  -0.068450
    16  H   -0.064063   0.124055  -0.008663  -0.256845   0.037234  -0.362313
    17  H   -0.257342  -0.041808   0.122625  -0.047958  -0.277444   0.119666
    18  H   -0.055429  -0.327380   0.084940   0.145239  -0.070896  -0.426240
    19  H   -0.406331   0.496059  -0.990212   0.028565   0.152057  -0.045474
    20  H   -0.001753   0.040845  -0.027943   0.012475  -0.000458  -0.000222
               7          8          9         10         11         12
     1  C    0.035146   0.002516  -0.006010   0.003220   0.011580   0.001134
     2  C   -0.395242  -0.227267  -0.036583   0.029786   0.140702   0.027570
     3  C    0.186415   0.289354  -0.055590  -0.191371  -0.192961  -0.098569
     4  C   -0.438130  -0.080611   0.014834   0.005822   0.010397   0.001512
     5  C    0.047997  -0.001587  -0.002044   0.001842   0.002924  -0.000003
     6  C    0.038651   0.000882   0.004019   0.000316  -0.002043   0.000181
     7  C    5.884713  -0.117925   0.413272   0.258297   0.028722   0.134199
     8  N   -0.117925   8.266619  -0.011565  -0.364406  -0.115387  -0.030871
     9  C    0.413272  -0.011565   4.241667   0.014974  -0.085490   0.309915
    10  H    0.258297  -0.364406   0.014974   1.070103   0.008432   0.029676
    11  H    0.028722  -0.115387  -0.085490   0.008432   1.091495   0.008372
    12  H    0.134199  -0.030871   0.309915   0.029676   0.008372   0.748306
    13  H    0.037929   0.010455   0.265600  -0.006262  -0.009684  -0.041915
    14  H    0.143814   0.020916   0.239519  -0.010530  -0.000768  -0.029778
    15  H   -0.236613  -0.023553  -0.016193   0.001657   0.042974   0.000403
    16  H    0.008489   0.000619   0.001047  -0.000011  -0.003405   0.000029
    17  H   -0.003069  -0.000221  -0.000287   0.000014   0.000134  -0.000031
    18  H    0.000401   0.003209  -0.000724  -0.001448  -0.000564  -0.000217
    19  H   -0.204978  -0.092287   0.015234   0.023447   0.027805   0.017794
    20  H    0.045818  -0.300228  -0.008283   0.098679   0.044259   0.007490
              13         14         15         16         17         18
     1  C   -0.000609   0.000247   0.167774  -0.064063  -0.257342  -0.055429
     2  C   -0.021105  -0.020216   0.094291   0.124055  -0.041808  -0.327380
     3  C    0.033937   0.009541  -0.924305  -0.008663   0.122625   0.084940
     4  C    0.010480  -0.012276   0.139252  -0.256845  -0.047958   0.145239
     5  C   -0.000793   0.000067  -0.346375   0.037234  -0.277444  -0.070896
     6  C    0.000577   0.000051  -0.068450  -0.362313   0.119666  -0.426240
     7  C    0.037929   0.143814  -0.236613   0.008489  -0.003069   0.000401
     8  N    0.010455   0.020916  -0.023553   0.000619  -0.000221   0.003209
     9  C    0.265600   0.239519  -0.016193   0.001047  -0.000287  -0.000724
    10  H   -0.006262  -0.010530   0.001657  -0.000011   0.000014  -0.001448
    11  H   -0.009684  -0.000768   0.042974  -0.003405   0.000134  -0.000564
    12  H   -0.041915  -0.029778   0.000403   0.000029  -0.000031  -0.000217
    13  H    0.696717   0.007923   0.005960  -0.000205   0.000003   0.000710
    14  H    0.007923   0.628962  -0.002845   0.000023  -0.000003   0.000037
    15  H    0.005960  -0.002845   2.002532  -0.502905   0.053410  -0.018765
    16  H   -0.000205   0.000023  -0.502905   2.094898  -0.471766   0.058257
    17  H    0.000003  -0.000003   0.053410  -0.471766   1.941397  -0.483837
    18  H    0.000710   0.000037  -0.018765   0.058257  -0.483837   2.184734
    19  H   -0.016858  -0.007199   0.043675  -0.016269   0.048463  -0.444883
    20  H   -0.006442  -0.014354   0.001235  -0.000013   0.000008  -0.000193
              19         20
     1  C   -0.406331  -0.001753
     2  C    0.496059   0.040845
     3  C   -0.990212  -0.027943
     4  C    0.028565   0.012475
     5  C    0.152057  -0.000458
     6  C   -0.045474  -0.000222
     7  C   -0.204978   0.045818
     8  N   -0.092287  -0.300228
     9  C    0.015234  -0.008283
    10  H    0.023447   0.098679
    11  H    0.027805   0.044259
    12  H    0.017794   0.007490
    13  H   -0.016858  -0.006442
    14  H   -0.007199  -0.014354
    15  H    0.043675   0.001235
    16  H   -0.016269  -0.000013
    17  H    0.048463   0.000008
    18  H   -0.444883  -0.000193
    19  H    2.104745   0.018350
    20  H    0.018350   1.021112
 Mulliken charges:
               1
     1  C   -0.369550
     2  C   -0.305483
     3  C   -0.738668
     4  C   -0.487528
     5  C   -0.400314
     6  C   -0.237758
     7  C    0.132095
     8  N   -0.228664
     9  C    0.702685
    10  H    0.027764
    11  H   -0.007493
    12  H   -0.085197
    13  H    0.033580
    14  H    0.046868
    15  H    0.586840
    16  H    0.361807
    17  H    0.298046
    18  H    0.353051
    19  H    0.248300
    20  H    0.069619
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.016500
     2  C   -0.057183
     3  C   -0.738668
     4  C    0.099312
     5  C   -0.038506
     6  C    0.060288
     7  C    0.124602
     8  N   -0.131280
     9  C    0.697936
 Electronic spatial extent (au):  <R**2>=           1289.6713
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.6396    Y=              0.7883    Z=             -0.8333  Tot=              1.3134
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -47.7943   YY=            -51.2019   ZZ=            -60.5299
   XY=              1.2621   XZ=             -0.7788   YZ=              3.3068
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              5.3811   YY=              1.9735   ZZ=             -7.3545
   XY=              1.2621   XZ=             -0.7788   YZ=              3.3068
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              9.8266  YYY=              0.2789  ZZZ=             -2.7618  XYY=             -2.3907
  XXY=              0.1560  XXZ=              3.6432  XZZ=              4.8304  YZZ=              4.5725
  YYZ=              0.5289  XYZ=              3.7341
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1085.0720 YYYY=           -319.8295 ZZZZ=           -224.7977 XXXY=             -6.6953
 XXXZ=             23.7472 YYYX=              0.6036 YYYZ=              7.6383 ZZZX=             -0.8440
 ZZZY=             10.5929 XXYY=           -247.7618 XXZZ=           -252.4629 YYZZ=           -100.9990
 XXYZ=             10.9863 YYXZ=              0.8643 ZZXY=              8.3952
 N-N= 4.252357736391D+02 E-N=-1.696809075050D+03  KE= 3.615718301947D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 11:09:53 2021, MaxMem=  5368709120 cpu:               2.3 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.45672457D-01 3.06186424D-01-2.90782300D-01
 Polarizability= 1.26026985D+02 2.33992042D-01 1.00324600D+02
                -4.75344164D-01 3.14264573D+00 7.08488249D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.3716    0.3723        0.3135    0.3147
 2     -0.3716   -0.3723       -1.3162   -1.3158      -12.8660  -12.8670
 3     -0.3135   -0.3147       27.6520   27.6518        1.3150    1.3158
 4      1.3162    1.3158       -0.0000    0.0000       -0.3131   -0.3147
 5    -14.7860  -14.7848        0.3131    0.3147        0.3693    0.3723
 6     -1.3150   -1.3158       -0.3693   -0.3723        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.1169   -1.1169        0.9440    0.9440
 2      3.9474    3.9474        0.0000    0.0000        0.9440    0.9440
 3      3.9474    3.9474       -1.1169   -1.1169       -0.0000    0.0000
 4     -1.1169   -1.1169       -3.9474   -3.9474      -38.6010  -38.6010
 5     -0.9440   -0.9440       82.9555   82.9555        3.9474    3.9474
 6    -44.3545  -44.3545        0.9440    0.9440        1.1169    1.1169
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0741    0.0000       -1.8421   -1.4892       -1.0588   -1.2587
 2      1.1749    1.4892        5.2975    5.2632       51.4200   51.4680
 3      1.2228    1.2587     -110.5468 -110.6073       -5.2914   -5.2632
 4     -5.1030   -5.2632        0.1415    0.0000        1.4575    1.2587
 5     59.0650   59.1393       -1.2217   -1.2587       -1.5608   -1.4892
 6      5.2836    5.2632        1.4442    1.4892       -0.0382    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1095    0.0000       -4.7754   -4.7188       -0.4082   -0.2401
 2      4.5985    4.7188       53.2524   53.3532       15.4805   15.5293
 3     -0.4026    0.2401       10.1190   10.4854      -53.6706  -53.3532
 4    -53.3625  -53.3532       -0.1140    0.0000        0.2727    0.2401
 5    -25.4023  -26.0147       -0.2161   -0.2401       -4.9896   -4.7188
 6     53.5277   53.3532        4.9098    4.7188        0.1995    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -37.9592  -37.9764       -4.2115   -4.1258       -1.9580   -2.1369
 2   -123.6743 -123.5881       -3.9781   -3.6852       -1.9751   -2.1369
 3   -123.6082 -123.5881       -4.3546   -4.1258        0.6753    0.5900
 4     -0.4744   -0.4406       85.3497   85.6117       21.7037   21.8598
 5      2.2009    2.7269       19.6416   19.9829      -85.7411  -85.6117
 6    -40.8302  -41.8427       -2.2880   -2.7269        0.0591    0.4406
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.6227   -0.0005   -0.0004    0.0002    0.7916    7.0459
 Low frequencies ---   27.7893  128.7779  196.2761
 Diagonal vibrational polarizability:
       23.8111759      14.5190299      34.1253698
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     27.7771               128.7775               196.2758
 Red. masses --      3.3013                 3.4381                 1.2637
 Frc consts  --      0.0015                 0.0336                 0.0287
 IR Inten    --      0.7435                 0.9047                30.2202
 RamAct Fr= 1--      3.8642                 4.4319                 0.5027
  Dep-P Fr= 1--      0.7493                 0.7499                 0.3867
  Dep-U Fr= 1--      0.8567                 0.8571                 0.5577
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0039
 Beta2  Fr= 1--      0.5517                 0.6331                 0.0467
 AlphaG Fr= 1--      0.0001                 0.0001                 0.0140
 Gamma2 Fr= 1--      0.2716                 0.0405                 0.0287
 Delta2 Fr= 1--      0.1432                 0.0169                 0.0179
 Raman1 Fr= 1--      15.457                 17.728                  2.011
 ROA1   Fr= 1--      30.653                  4.426                  3.330
 CID1   Fr= 1--       1.983                  0.250                  1.656
 Raman2 Fr= 1--       6.621                  7.597                  0.561
 ROA2   Fr= 1--       5.372                  0.836                  0.547
 CID2   Fr= 1--       0.811                  0.110                  0.975
 Raman3 Fr= 1--      13.242                 15.194                  1.121
 ROA3   Fr= 1--      30.653                  4.426                  3.330
 CID3   Fr= 1--       2.315                  0.291                  2.969
 RC180  Fr= 1--       0.713                  0.714                  0.115
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.13    -0.01   0.01  -0.10     0.06   0.01  -0.01
     2   6     0.01  -0.03   0.18    -0.01  -0.00   0.10     0.05  -0.05   0.01
     3   6     0.00  -0.02   0.06    -0.00  -0.01   0.18     0.01  -0.06   0.00
     4   6    -0.01   0.00  -0.11    -0.00  -0.01   0.15    -0.02  -0.04   0.01
     5   6    -0.01   0.02  -0.17    -0.00   0.01  -0.04    -0.02   0.02   0.01
     6   6     0.00   0.01  -0.05    -0.01   0.02  -0.21     0.03   0.04  -0.01
     7   6    -0.00  -0.02   0.07    -0.00  -0.00   0.03     0.01  -0.02  -0.01
     8   7     0.05   0.22   0.01     0.21  -0.09  -0.04    -0.01   0.02  -0.01
     9   6    -0.06  -0.18  -0.10    -0.18   0.08  -0.02    -0.05   0.05   0.00
    10   1     0.07   0.27  -0.13     0.29  -0.10   0.05    -0.59  -0.23   0.23
    11   1     0.00  -0.05   0.24    -0.02   0.01  -0.06     0.06  -0.01  -0.04
    12   1    -0.11  -0.16  -0.28    -0.11   0.06   0.10    -0.15   0.03   0.00
    13   1    -0.09  -0.38  -0.04    -0.38   0.19   0.04    -0.02   0.00  -0.00
    14   1    -0.05  -0.14  -0.09    -0.19   0.05  -0.25    -0.03   0.14   0.01
    15   1    -0.02   0.01  -0.21    -0.00  -0.01   0.23    -0.05  -0.05   0.02
    16   1    -0.01   0.04  -0.30    -0.00   0.01  -0.09    -0.05   0.04   0.01
    17   1     0.00   0.02  -0.09    -0.01   0.04  -0.40     0.03   0.07  -0.02
    18   1     0.02  -0.02   0.22    -0.01   0.02  -0.20     0.10   0.02  -0.01
    19   1     0.02  -0.04   0.31    -0.01  -0.00   0.14     0.08  -0.07   0.00
    20   1     0.05   0.22  -0.02     0.20  -0.13  -0.20     0.01   0.65  -0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    240.4039               260.2512               322.2466
 Red. masses --      1.7537                 1.1757                 3.0821
 Frc consts  --      0.0597                 0.0469                 0.1886
 IR Inten    --     16.0102                 1.2512                 2.6252
 RamAct Fr= 1--      0.2280                 0.1694                 2.0123
  Dep-P Fr= 1--      0.3392                 0.3916                 0.3475
  Dep-U Fr= 1--      0.5066                 0.5628                 0.5158
 Alpha2 Fr= 1--      0.0021                 0.0013                 0.0178
 Beta2  Fr= 1--      0.0193                 0.0159                 0.1730
 AlphaG Fr= 1--     -0.0074                -0.0013                -0.0065
 Gamma2 Fr= 1--     -0.0531                -0.0434                -0.2285
 Delta2 Fr= 1--     -0.0457                 0.0886                 0.0377
 Raman1 Fr= 1--       0.912                  0.677                  8.049
 ROA1   Fr= 1--      -6.562                 -1.334                -20.725
 CID1   Fr= 1--      -7.195                 -1.969                 -2.575
 Raman2 Fr= 1--       0.231                  0.191                  2.076
 ROA2   Fr= 1--      -0.909                 -1.752                 -5.785
 CID2   Fr= 1--      -3.936                 -9.188                 -2.787
 Raman3 Fr= 1--       0.462                  0.381                  4.151
 ROA3   Fr= 1--      -6.562                 -1.334                -20.725
 CID3   Fr= 1--     -14.203                 -3.498                 -4.992
 RC180  Fr= 1--       0.013                  0.126                  0.032
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.00   0.01     0.04  -0.00  -0.00    -0.04  -0.02   0.01
     2   6    -0.07   0.08   0.03     0.03  -0.03  -0.02    -0.05  -0.09   0.02
     3   6    -0.00   0.10   0.02    -0.00  -0.04  -0.01    -0.04  -0.09  -0.01
     4   6     0.04   0.07   0.01    -0.01  -0.03  -0.03    -0.13  -0.04   0.02
     5   6     0.03  -0.02  -0.01    -0.01   0.00  -0.01    -0.14   0.02   0.01
     6   6    -0.04  -0.04  -0.01     0.02   0.01   0.02    -0.11   0.04  -0.02
     7   6    -0.01   0.01  -0.01    -0.00  -0.01   0.01     0.03  -0.01  -0.04
     8   7     0.06  -0.06  -0.02    -0.03   0.06   0.01     0.17   0.10  -0.10
     9   6     0.09  -0.10  -0.02    -0.02   0.02   0.02     0.20   0.04   0.11
    10   1    -0.36  -0.27   0.24     0.03   0.11  -0.08     0.18   0.13  -0.17
    11   1    -0.13  -0.00  -0.03     0.04  -0.01   0.04     0.07  -0.01  -0.02
    12   1     0.41  -0.08   0.06     0.42   0.00   0.36     0.22   0.03   0.22
    13   1    -0.05   0.06   0.01    -0.40   0.45   0.08     0.44   0.18  -0.02
    14   1     0.03  -0.40  -0.13    -0.11  -0.36  -0.36     0.20  -0.00   0.35
    15   1     0.09   0.09   0.01    -0.03  -0.04  -0.04    -0.21  -0.08   0.02
    16   1     0.08  -0.06  -0.02    -0.03   0.02  -0.00    -0.16   0.04   0.01
    17   1    -0.05  -0.10  -0.03     0.02   0.03   0.05    -0.10   0.09  -0.05
    18   1    -0.15  -0.02   0.01     0.05   0.00   0.00     0.03   0.01   0.01
    19   1    -0.11   0.11   0.03     0.05  -0.05  -0.04    -0.03  -0.10   0.03
    20   1     0.08   0.42  -0.15    -0.03  -0.00   0.04     0.17   0.18  -0.28
                      7                      8                      9
                      A                      A                      A
 Frequencies --    331.5455               414.2349               481.9304
 Red. masses --      3.6202                 2.9440                 2.7876
 Frc consts  --      0.2345                 0.2976                 0.3815
 IR Inten    --      3.9809                 0.0017                 5.5562
 RamAct Fr= 1--      0.1753                 0.0220                 5.4700
  Dep-P Fr= 1--      0.5661                 0.4838                 0.0576
  Dep-U Fr= 1--      0.7229                 0.6521                 0.1088
 Alpha2 Fr= 1--      0.0006                 0.0001                 0.1061
 Beta2  Fr= 1--      0.0211                 0.0024                 0.0992
 AlphaG Fr= 1--      0.0025                 0.0023                 0.0341
 Gamma2 Fr= 1--      0.1143                 0.1462                 0.0531
 Delta2 Fr= 1--     -0.0346                 0.0086                 0.1090
 Raman1 Fr= 1--       0.701                  0.088                 21.880
 ROA1   Fr= 1--       9.866                 14.311                  8.588
 CID1   Fr= 1--      14.070                162.490                  0.392
 Raman2 Fr= 1--       0.253                  0.029                  1.191
 ROA2   Fr= 1--       3.020                  3.440                  0.402
 CID2   Fr= 1--      11.916                119.801                  0.338
 Raman3 Fr= 1--       0.507                  0.057                  2.381
 ROA3   Fr= 1--       9.866                 14.311                  8.588
 CID3   Fr= 1--      19.462                249.182                  3.606
 RC180  Fr= 1--       0.446                  0.304                 -0.782
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.08    -0.00   0.02  -0.21     0.04   0.03   0.00
     2   6    -0.03   0.02  -0.19     0.00  -0.02   0.21     0.04   0.09   0.00
     3   6    -0.00   0.00   0.01     0.00   0.00   0.00    -0.05   0.06   0.00
     4   6    -0.02   0.03  -0.19     0.00   0.02  -0.21     0.05   0.01   0.00
     5   6    -0.02   0.02  -0.06     0.00  -0.02   0.21     0.08  -0.05  -0.01
     6   6    -0.03  -0.01   0.19     0.00  -0.00  -0.00     0.11  -0.04  -0.00
     7   6     0.02  -0.03   0.14    -0.00  -0.00  -0.00    -0.16  -0.13  -0.03
     8   7     0.23  -0.03   0.08    -0.01   0.00  -0.00    -0.02   0.05  -0.15
     9   6    -0.12  -0.02   0.09     0.00  -0.00  -0.00    -0.09  -0.06   0.19
    10   1     0.14  -0.09   0.20     0.01   0.01  -0.01     0.03   0.14  -0.34
    11   1    -0.00  -0.03   0.14    -0.01  -0.00   0.00    -0.25  -0.15   0.01
    12   1    -0.25  -0.02   0.04     0.00  -0.00   0.01    -0.18  -0.10   0.42
    13   1    -0.16  -0.12   0.13     0.00   0.01  -0.00     0.14   0.15   0.05
    14   1    -0.09   0.12   0.02     0.00  -0.01  -0.00    -0.07   0.02   0.39
    15   1    -0.03   0.04  -0.32     0.00   0.04  -0.45     0.16   0.05   0.01
    16   1    -0.02   0.01  -0.08     0.01  -0.05   0.46     0.07  -0.04  -0.01
    17   1    -0.03  -0.04   0.45     0.00  -0.00   0.00     0.11  -0.06  -0.00
    18   1    -0.03   0.02  -0.13    -0.00   0.04  -0.44    -0.05  -0.01   0.01
    19   1    -0.04   0.04  -0.31     0.00  -0.04   0.46     0.05   0.08   0.00
    20   1     0.23   0.17  -0.17    -0.01  -0.00  -0.00    -0.01   0.14  -0.35
                     10                     11                     12
                      A                      A                      A
 Frequencies --    548.4757               594.3537               639.0507
 Red. masses --      2.9941                 3.0286                 6.3607
 Frc consts  --      0.5307                 0.6304                 1.5305
 IR Inten    --      6.2497                 4.2564                 0.0358
 RamAct Fr= 1--      0.4271                 1.6005                 4.3847
  Dep-P Fr= 1--      0.7066                 0.7445                 0.7310
  Dep-U Fr= 1--      0.8281                 0.8536                 0.8446
 Alpha2 Fr= 1--      0.0003                 0.0001                 0.0014
 Beta2  Fr= 1--      0.0590                 0.2277                 0.6172
 AlphaG Fr= 1--     -0.0004                -0.0002                 0.0008
 Gamma2 Fr= 1--     -0.2309                 0.3014                 0.0201
 Delta2 Fr= 1--     -0.0881                 0.0803                 0.0010
 Raman1 Fr= 1--       1.709                  6.402                 17.539
 ROA1   Fr= 1--     -24.984                 31.502                  1.965
 CID1   Fr= 1--     -14.623                  4.921                  0.112
 Raman2 Fr= 1--       0.707                  2.732                  7.407
 ROA2   Fr= 1--      -4.836                  6.590                  0.475
 CID2   Fr= 1--      -6.837                  2.412                  0.064
 Raman3 Fr= 1--       1.415                  5.464                 14.813
 ROA3   Fr= 1--     -24.984                 31.502                  1.965
 CID3   Fr= 1--     -17.658                  5.765                  0.133
 RC180  Fr= 1--       0.656                  0.707                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.12     0.06   0.07   0.05    -0.22   0.27   0.03
     2   6     0.01  -0.01   0.05     0.01   0.02  -0.03    -0.27  -0.17  -0.01
     3   6    -0.05  -0.04   0.26    -0.15  -0.01  -0.07    -0.01  -0.14  -0.01
     4   6    -0.01  -0.06   0.05    -0.03  -0.15  -0.05     0.21  -0.22  -0.02
     5   6     0.00  -0.01  -0.13    -0.01  -0.09   0.04     0.29   0.21   0.02
     6   6     0.06  -0.02   0.18     0.15   0.01  -0.07     0.01   0.14   0.01
     7   6    -0.06   0.08  -0.04    -0.16   0.21   0.06     0.01  -0.03  -0.01
     8   7    -0.07  -0.00  -0.06     0.07  -0.02   0.04    -0.01  -0.01  -0.02
     9   6     0.06   0.03  -0.05     0.00   0.01  -0.00    -0.01  -0.03   0.02
    10   1    -0.05  -0.02   0.01     0.19  -0.10   0.36    -0.02   0.01  -0.07
    11   1    -0.06   0.09  -0.11    -0.13   0.23   0.00     0.04  -0.03  -0.00
    12   1     0.20   0.06  -0.16     0.27   0.09  -0.31    -0.03  -0.04   0.07
    13   1     0.20  -0.01  -0.10     0.07  -0.18   0.01    -0.01   0.01   0.02
    14   1     0.03  -0.13   0.13    -0.06  -0.29   0.15    -0.01  -0.01   0.02
    15   1     0.01  -0.02  -0.25     0.05  -0.13   0.05     0.05  -0.28  -0.04
    16   1    -0.04   0.05  -0.47    -0.15   0.01   0.19     0.17   0.30   0.02
    17   1     0.06  -0.01   0.19     0.15   0.02  -0.05    -0.06  -0.29  -0.03
    18   1     0.01   0.06  -0.47    -0.00   0.03   0.19    -0.06   0.33   0.03
    19   1     0.06  -0.02  -0.26     0.16  -0.11   0.06    -0.15  -0.26  -0.03
    20   1    -0.07  -0.09   0.02     0.06  -0.05  -0.26    -0.01   0.00  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    712.0918               766.1778               781.6127
 Red. masses --      1.6830                 3.4287                 2.0695
 Frc consts  --      0.5028                 1.1859                 0.7449
 IR Inten    --     40.7430                11.9375                42.2097
 RamAct Fr= 1--      0.0549                13.6372                 2.0503
  Dep-P Fr= 1--      0.4850                 0.0213                 0.2093
  Dep-U Fr= 1--      0.6532                 0.0417                 0.3461
 Alpha2 Fr= 1--      0.0003                 0.2883                 0.0272
 Beta2  Fr= 1--      0.0060                 0.0949                 0.1183
 AlphaG Fr= 1--      0.0004                 0.0404                -0.0212
 Gamma2 Fr= 1--     -0.0518                -0.6728                -0.0221
 Delta2 Fr= 1--     -0.0357                -0.3447                -0.0665
 Raman1 Fr= 1--       0.219                 54.549                  8.201
 ROA1   Fr= 1--      -6.118                -75.619                 -4.251
 CID1   Fr= 1--     -27.877                 -1.386                 -0.518
 Raman2 Fr= 1--       0.072                  1.139                  1.419
 ROA2   Fr= 1--      -0.959                -13.389                  0.001
 CID2   Fr= 1--     -13.379                -11.759                  0.001
 Raman3 Fr= 1--       0.143                  2.277                  2.838
 ROA3   Fr= 1--      -6.118                -75.619                 -4.251
 CID3   Fr= 1--     -42.679                -33.205                 -1.497
 RC180  Fr= 1--       0.306                 -0.917                 -0.308
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.02  -0.14    -0.07   0.18   0.02    -0.01   0.03   0.02
     2   6    -0.00  -0.00   0.06    -0.04   0.16   0.05    -0.01   0.04  -0.09
     3   6    -0.01   0.01  -0.09    -0.10   0.02  -0.06    -0.02  -0.02   0.22
     4   6    -0.00  -0.01   0.07    -0.07  -0.12   0.02    -0.01  -0.01  -0.08
     5   6    -0.00   0.01  -0.14    -0.08  -0.14  -0.02    -0.01  -0.03   0.01
     6   6     0.01  -0.01   0.07     0.15  -0.03   0.04     0.03   0.01  -0.13
     7   6    -0.00   0.00   0.00     0.11  -0.15  -0.02     0.03  -0.05  -0.00
     8   7     0.00  -0.00   0.01     0.04  -0.00   0.11    -0.02   0.01  -0.03
     9   6     0.00   0.00  -0.00     0.08   0.02  -0.09     0.03   0.02  -0.05
    10   1     0.02   0.00   0.01    -0.02   0.10  -0.19    -0.09  -0.01  -0.05
    11   1     0.00   0.00   0.01     0.09  -0.17   0.07     0.01  -0.05  -0.01
    12   1    -0.01  -0.00   0.00    -0.19  -0.04   0.15    -0.00   0.00   0.04
    13   1    -0.01   0.00   0.00    -0.03   0.18  -0.08     0.08   0.09  -0.08
    14   1     0.00   0.00  -0.02     0.14   0.33  -0.29     0.04   0.06  -0.01
    15   1     0.00  -0.05   0.51     0.04  -0.07  -0.04     0.00  -0.01  -0.01
    16   1    -0.01  -0.02   0.21    -0.26   0.01  -0.20    -0.04  -0.05   0.51
    17   1     0.01  -0.06   0.56     0.14  -0.03  -0.21     0.03  -0.07   0.55
    18   1    -0.00  -0.02   0.23    -0.30   0.11  -0.18    -0.06  -0.03   0.51
    19   1     0.01  -0.05   0.51     0.03   0.12  -0.02     0.01   0.03  -0.00
    20   1     0.01   0.01  -0.03     0.06   0.13   0.17    -0.02  -0.04   0.17
                     16                     17                     18
                      A                      A                      A
 Frequencies --    840.7909               852.8598               912.8879
 Red. masses --      1.5944                 1.2498                 1.6280
 Frc consts  --      0.6641                 0.5356                 0.7993
 IR Inten    --    133.9720                 0.1428                10.2342
 RamAct Fr= 1--      0.9243                 1.5146                 3.7205
  Dep-P Fr= 1--      0.5685                 0.7194                 0.6557
  Dep-U Fr= 1--      0.7249                 0.8368                 0.7920
 Alpha2 Fr= 1--      0.0032                 0.0008                 0.0063
 Beta2  Fr= 1--      0.1117                 0.2112                 0.4911
 AlphaG Fr= 1--      0.0004                -0.0013                 0.0160
 Gamma2 Fr= 1--     -0.3124                 0.1017                 2.0889
 Delta2 Fr= 1--     -0.2808                -0.0113                 1.1726
 Raman1 Fr= 1--       3.697                  6.058                 14.882
 ROA1   Fr= 1--     -38.972                  9.406                238.053
 CID1   Fr= 1--     -10.540                  1.553                 15.996
 Raman2 Fr= 1--       1.340                  2.535                  5.894
 ROA2   Fr= 1--      -5.251                  2.532                 40.752
 CID2   Fr= 1--      -3.918                  0.999                  6.915
 Raman3 Fr= 1--       2.680                  5.070                 11.787
 ROA3   Fr= 1--     -38.972                  9.406                238.053
 CID3   Fr= 1--     -14.540                  1.855                 20.196
 RC180  Fr= 1--       0.450                  0.674                  0.584
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.03  -0.00     0.00   0.01  -0.07    -0.02   0.04  -0.00
     2   6     0.00  -0.02  -0.00    -0.00   0.01  -0.08    -0.00   0.02   0.04
     3   6    -0.00  -0.00   0.03     0.00   0.00   0.00     0.03  -0.00  -0.01
     4   6     0.01   0.02  -0.00     0.00  -0.01   0.08    -0.01  -0.03   0.03
     5   6     0.03   0.03   0.00     0.00  -0.01   0.07    -0.04  -0.04  -0.00
     6   6    -0.02   0.00  -0.02     0.00  -0.00   0.00     0.01   0.00  -0.04
     7   6    -0.07  -0.02  -0.03    -0.00   0.00  -0.00     0.11   0.06  -0.00
     8   7    -0.03  -0.07   0.16    -0.00  -0.00   0.00    -0.04  -0.04  -0.07
     9   6     0.02   0.05  -0.06     0.00  -0.00  -0.00    -0.00  -0.01   0.14
    10   1     0.21   0.28  -0.54     0.01   0.00   0.00    -0.00   0.08  -0.34
    11   1    -0.06  -0.01  -0.07    -0.01  -0.00   0.01     0.20   0.11  -0.21
    12   1     0.07   0.06  -0.13    -0.01  -0.00   0.01     0.03   0.06  -0.27
    13   1     0.06   0.03  -0.07     0.00   0.01  -0.00    -0.33  -0.42   0.37
    14   1     0.02  -0.01  -0.03     0.00  -0.00  -0.01    -0.03  -0.11  -0.17
    15   1     0.01   0.02  -0.02    -0.00   0.05  -0.51    -0.01  -0.01  -0.20
    16   1     0.06  -0.00   0.05    -0.00   0.05  -0.47    -0.08  -0.01  -0.00
    17   1    -0.02  -0.01   0.07    -0.00   0.00  -0.02     0.01  -0.01   0.23
    18   1     0.05  -0.02   0.03     0.01  -0.05   0.47    -0.06   0.02   0.04
    19   1    -0.01  -0.01  -0.05     0.00  -0.05   0.52    -0.01   0.06  -0.19
    20   1     0.03   0.45  -0.51    -0.00   0.01  -0.01    -0.02   0.13  -0.15
                     19                     20                     21
                      A                      A                      A
 Frequencies --    927.6566               956.8059               974.8972
 Red. masses --      1.4871                 1.3573                 1.2407
 Frc consts  --      0.7540                 0.7321                 0.6948
 IR Inten    --      0.8654                 0.0303                 0.2278
 RamAct Fr= 1--      1.2091                 0.0557                 0.0582
  Dep-P Fr= 1--      0.7483                 0.0596                 0.6159
  Dep-U Fr= 1--      0.8560                 0.1125                 0.7623
 Alpha2 Fr= 1--      0.0000                 0.0011                 0.0001
 Beta2  Fr= 1--      0.1725                 0.0010                 0.0074
 AlphaG Fr= 1--     -0.0001                -0.0091                 0.0026
 Gamma2 Fr= 1--     -0.4972                -0.1720                 0.0100
 Delta2 Fr= 1--      0.0662                 0.0518                 0.0172
 Raman1 Fr= 1--       4.836                  0.223                  0.233
 ROA1   Fr= 1--     -45.611                -14.857                  1.515
 CID1   Fr= 1--      -9.431                -66.695                  6.505
 Raman2 Fr= 1--       2.070                  0.013                  0.089
 ROA2   Fr= 1--     -12.462                 -4.543                  0.103
 CID2   Fr= 1--      -6.020               -362.505                  1.164
 Raman3 Fr= 1--       4.140                  0.025                  0.178
 ROA3   Fr= 1--     -45.611                -14.857                  1.515
 CID3   Fr= 1--     -11.017               -592.709                  8.534
 RC180  Fr= 1--       0.712                 -0.775                  0.525
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01    -0.00   0.01  -0.10    -0.00   0.01  -0.07
     2   6     0.00  -0.02   0.10     0.00  -0.01   0.09     0.00  -0.00   0.03
     3   6    -0.01   0.01  -0.09    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00   0.10     0.00   0.01  -0.08    -0.00  -0.00   0.04
     5   6     0.01   0.01  -0.00     0.00  -0.01   0.09     0.00   0.01  -0.08
     6   6    -0.00   0.01  -0.09    -0.00  -0.00   0.01     0.00  -0.01   0.08
     7   6    -0.04  -0.00  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.01
     8   7     0.03   0.02   0.04     0.00   0.00   0.00     0.00   0.00   0.01
     9   6    -0.01  -0.02  -0.03    -0.00   0.00  -0.00    -0.01  -0.00   0.00
    10   1     0.02  -0.04   0.19    -0.01  -0.00  -0.00    -0.00   0.00   0.01
    11   1    -0.06  -0.03   0.08     0.00  -0.00  -0.01     0.00   0.00  -0.00
    12   1    -0.04  -0.05   0.13     0.01   0.00  -0.00     0.01  -0.00   0.01
    13   1     0.08   0.13  -0.10     0.02   0.00  -0.01     0.01   0.00  -0.01
    14   1     0.00   0.05   0.05    -0.01  -0.01   0.02    -0.01  -0.01   0.02
    15   1    -0.00   0.05  -0.51     0.01  -0.04   0.44    -0.01   0.03  -0.33
    16   1     0.02   0.01  -0.03    -0.00   0.05  -0.46     0.01  -0.06   0.55
    17   1     0.00  -0.06   0.57    -0.00   0.01  -0.05    -0.00   0.05  -0.52
    18   1     0.02  -0.01  -0.02     0.00  -0.06   0.56     0.00  -0.05   0.46
    19   1    -0.00   0.03  -0.50    -0.00   0.05  -0.49    -0.00   0.02  -0.26
    20   1     0.02  -0.07   0.05     0.00  -0.00   0.02     0.00  -0.00   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1012.0277              1026.6513              1055.0167
 Red. masses --      1.6157                 5.6616                 2.2517
 Frc consts  --      0.9750                 3.5159                 1.4766
 IR Inten    --      5.4792                 0.4029                 4.3229
 RamAct Fr= 1--     13.1180                39.2146                20.6717
  Dep-P Fr= 1--      0.1396                 0.0559                 0.0546
  Dep-U Fr= 1--      0.2450                 0.1058                 0.1035
 Alpha2 Fr= 1--      0.2082                 0.7639                 0.4039
 Beta2  Fr= 1--      0.5356                 0.6915                 0.3566
 AlphaG Fr= 1--     -0.0626                 0.0374                 0.0149
 Gamma2 Fr= 1--      1.7739                -0.5410                -0.1339
 Delta2 Fr= 1--      1.0350                -0.1948                -0.2230
 Raman1 Fr= 1--      52.472                156.858                 82.687
 ROA1   Fr= 1--     203.418                -58.174                -19.990
 CID1   Fr= 1--       3.877                 -0.371                 -0.242
 Raman2 Fr= 1--       6.427                  8.298                  4.279
 ROA2   Fr= 1--      34.295                -11.426                 -1.429
 CID2   Fr= 1--       5.336                 -1.377                 -0.334
 Raman3 Fr= 1--      12.853                 16.596                  8.559
 ROA3   Fr= 1--     203.418                -58.174                -19.990
 CID3   Fr= 1--      15.826                 -3.505                 -2.336
 RC180  Fr= 1--      -0.510                 -0.788                 -0.793
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.04   0.01    -0.02   0.06   0.01    -0.00   0.19   0.02
     2   6     0.03   0.05  -0.00    -0.22  -0.30  -0.03     0.04  -0.08  -0.01
     3   6     0.03  -0.02  -0.01     0.02   0.00  -0.00     0.04  -0.00   0.00
     4   6     0.01  -0.02  -0.00    -0.13   0.35   0.03     0.06   0.06   0.01
     5   6    -0.01  -0.02  -0.00    -0.03  -0.05  -0.00    -0.06  -0.19  -0.02
     6   6    -0.04  -0.01  -0.00     0.35  -0.05  -0.01    -0.14   0.02   0.00
     7   6     0.04  -0.02  -0.12     0.03   0.00  -0.05    -0.01   0.01   0.02
     8   7     0.05   0.01   0.08     0.03   0.00   0.03    -0.02  -0.00  -0.01
     9   6    -0.14   0.01   0.02    -0.04  -0.00   0.02     0.00  -0.01  -0.01
    10   1    -0.07   0.05  -0.12    -0.05   0.02  -0.08     0.04  -0.00   0.04
    11   1     0.23   0.05  -0.29     0.00   0.02  -0.14    -0.03  -0.00   0.08
    12   1     0.27   0.05  -0.07     0.08   0.01  -0.02    -0.02  -0.02   0.05
    13   1     0.26  -0.02  -0.14     0.05  -0.04  -0.01     0.02   0.06  -0.04
    14   1    -0.22  -0.42   0.48    -0.07  -0.14   0.14     0.01   0.04   0.01
    15   1    -0.00  -0.03   0.01    -0.10   0.38   0.06     0.38   0.18   0.01
    16   1     0.00  -0.03  -0.02     0.00  -0.05  -0.03     0.23  -0.43  -0.04
    17   1    -0.05  -0.04   0.01     0.37  -0.07  -0.00    -0.15   0.03   0.01
    18   1    -0.06   0.03  -0.04    -0.01   0.05   0.00     0.36   0.34   0.03
    19   1     0.03   0.05   0.07    -0.17  -0.35  -0.02     0.30  -0.28  -0.04
    20   1     0.06   0.03   0.37     0.03   0.02   0.21    -0.02   0.00  -0.12
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1074.1089              1112.8397              1121.8320
 Red. masses --      2.4664                 1.7742                 1.6419
 Frc consts  --      1.6765                 1.2945                 1.2174
 IR Inten    --     16.8555                 9.1036                 8.2962
 RamAct Fr= 1--      5.3096                 2.8505                 1.6591
  Dep-P Fr= 1--      0.5592                 0.3619                 0.4527
  Dep-U Fr= 1--      0.7173                 0.5314                 0.6233
 Alpha2 Fr= 1--      0.0193                 0.0241                 0.0101
 Beta2  Fr= 1--      0.6348                 0.2525                 0.1723
 AlphaG Fr= 1--      0.0738                 0.0572                 0.0115
 Gamma2 Fr= 1--     -0.4764                 0.7131                 0.3687
 Delta2 Fr= 1--     -1.9197                 0.1214                 0.2102
 Raman1 Fr= 1--      21.239                 11.402                  6.636
 ROA1   Fr= 1--    -107.162                 72.345                 42.121
 CID1   Fr= 1--      -5.046                  6.345                  6.347
 Raman2 Fr= 1--       7.617                  3.030                  2.068
 ROA2   Fr= 1--       3.924                 16.144                  7.167
 CID2   Fr= 1--       0.515                  5.329                  3.465
 Raman3 Fr= 1--      15.234                  6.059                  4.136
 ROA3   Fr= 1--    -107.162                 72.345                 42.121
 CID3   Fr= 1--      -7.034                 11.939                 10.183
 RC180  Fr= 1--       0.435                  0.063                  0.247
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05   0.01     0.03  -0.04  -0.00     0.04  -0.04  -0.00
     2   6     0.06   0.04   0.02    -0.10  -0.01   0.01    -0.03  -0.03  -0.00
     3   6    -0.01  -0.06  -0.06     0.06   0.03  -0.03    -0.12   0.04  -0.01
     4   6    -0.05   0.07   0.02     0.09  -0.05   0.01     0.02  -0.01   0.00
     5   6     0.05   0.04   0.00    -0.08  -0.05  -0.00     0.04   0.00  -0.00
     6   6    -0.00  -0.06  -0.01     0.03   0.07   0.01    -0.03   0.03   0.00
     7   6    -0.04  -0.16   0.20     0.02  -0.05   0.13    -0.07  -0.09  -0.02
     8   7    -0.01   0.01  -0.08    -0.02  -0.02  -0.05     0.08   0.03   0.02
     9   6     0.00   0.15  -0.05    -0.04   0.05  -0.05     0.05   0.07   0.04
    10   1    -0.06  -0.05   0.01    -0.05  -0.01  -0.11    -0.19   0.01  -0.17
    11   1     0.24  -0.11   0.13     0.07  -0.04   0.12    -0.33  -0.07  -0.29
    12   1     0.35   0.24  -0.41     0.18   0.08  -0.07     0.05   0.12  -0.30
    13   1     0.13  -0.12  -0.04     0.17   0.04  -0.13    -0.16  -0.21   0.18
    14   1    -0.07  -0.21   0.06    -0.07  -0.14   0.17     0.03  -0.01  -0.21
    15   1    -0.23   0.01  -0.08     0.38   0.07  -0.04     0.23   0.08  -0.01
    16   1     0.19  -0.07  -0.01    -0.29   0.11   0.01     0.09  -0.05  -0.01
    17   1    -0.05  -0.35  -0.03     0.09   0.48   0.05    -0.01   0.14   0.02
    18   1    -0.20  -0.00  -0.00     0.16   0.00  -0.00     0.23   0.03  -0.00
    19   1     0.21  -0.07  -0.06    -0.43   0.24   0.00     0.03  -0.08  -0.00
    20   1    -0.03  -0.10  -0.11    -0.02   0.00  -0.06     0.06  -0.05   0.51
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1184.8234              1200.1757              1207.6744
 Red. masses --      1.1254                 1.6000                 1.1343
 Frc consts  --      0.9308                 1.3579                 0.9747
 IR Inten    --      0.1025                 2.2241                 0.0477
 RamAct Fr= 1--      3.2421                 2.7159                 4.9645
  Dep-P Fr= 1--      0.7378                 0.3267                 0.6315
  Dep-U Fr= 1--      0.8491                 0.4925                 0.7741
 Alpha2 Fr= 1--      0.0007                 0.0257                 0.0107
 Beta2  Fr= 1--      0.4588                 0.2229                 0.6405
 AlphaG Fr= 1--     -0.0002                -0.0035                 0.0050
 Gamma2 Fr= 1--      0.3353                -1.2925                -0.0894
 Delta2 Fr= 1--     -0.0895                 0.4243                -0.0014
 Raman1 Fr= 1--      12.968                 10.864                 19.858
 ROA1   Fr= 1--      29.329               -110.507                 -8.631
 CID1   Fr= 1--       2.262                -10.172                 -0.435
 Raman2 Fr= 1--       5.506                  2.675                  7.686
 ROA2   Fr= 1--       8.764                -34.415                 -2.135
 CID2   Fr= 1--       1.592                -12.864                 -0.278
 Raman3 Fr= 1--      11.012                  5.351                 15.372
 ROA3   Fr= 1--      29.329               -110.507                 -8.631
 CID3   Fr= 1--       2.663                -20.653                 -0.561
 RC180  Fr= 1--       0.698                 -0.015                  0.548
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.02  -0.00     0.00   0.00  -0.00     0.05   0.02   0.00
     2   6     0.01  -0.01  -0.00    -0.03   0.03  -0.00    -0.05   0.04   0.00
     3   6    -0.00   0.01  -0.00     0.00  -0.06   0.03     0.01  -0.00  -0.00
     4   6    -0.01  -0.01  -0.00     0.03   0.03  -0.00    -0.05  -0.02  -0.00
     5   6     0.04  -0.03  -0.00    -0.01  -0.00  -0.00     0.04  -0.03  -0.00
     6   6     0.01   0.07   0.01     0.01   0.01   0.00     0.01  -0.00  -0.00
     7   6     0.01   0.01   0.02    -0.06  -0.10  -0.13    -0.00   0.00  -0.00
     8   7    -0.00  -0.01  -0.01    -0.02   0.07   0.05    -0.00   0.00  -0.00
     9   6    -0.01  -0.00  -0.01     0.03   0.03   0.05     0.00   0.00  -0.00
    10   1    -0.02   0.01  -0.06     0.20  -0.07   0.55    -0.00  -0.00   0.01
    11   1    -0.03   0.01   0.01     0.43  -0.07   0.03     0.01   0.00   0.01
    12   1     0.01  -0.01   0.02    -0.01   0.05  -0.15    -0.01   0.00   0.00
    13   1     0.02   0.02  -0.02    -0.10  -0.16   0.14    -0.00  -0.01   0.00
    14   1    -0.00   0.01   0.03     0.00  -0.07  -0.16    -0.00  -0.02   0.00
    15   1    -0.19  -0.08  -0.01     0.18   0.08   0.04    -0.46  -0.18  -0.01
    16   1     0.39  -0.31  -0.04     0.05  -0.05  -0.00     0.37  -0.29  -0.03
    17   1     0.10   0.64   0.07     0.04   0.23   0.02     0.01  -0.01  -0.00
    18   1    -0.44  -0.17  -0.02    -0.09  -0.04   0.00     0.46   0.18   0.02
    19   1     0.14  -0.11  -0.01    -0.14   0.11   0.02    -0.41   0.32   0.03
    20   1     0.00   0.02   0.03    -0.04  -0.15  -0.37    -0.00  -0.01  -0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1234.6121              1332.2650              1356.8244
 Red. masses --      2.1575                 3.3275                 1.7117
 Frc consts  --      1.9376                 3.4797                 1.8566
 IR Inten    --      4.3663                 4.2179                 3.0364
 RamAct Fr= 1--     22.6852                 0.9040                 1.0000
  Dep-P Fr= 1--      0.0648                 0.1255                 0.5053
  Dep-U Fr= 1--      0.1218                 0.2230                 0.6714
 Alpha2 Fr= 1--      0.4325                 0.0149                 0.0048
 Beta2  Fr= 1--      0.4604                 0.0336                 0.1119
 AlphaG Fr= 1--     -0.0541                -0.0090                 0.0049
 Gamma2 Fr= 1--     -0.5009                 0.4189                 0.6599
 Delta2 Fr= 1--     -0.0676                 0.1960                -0.5474
 Raman1 Fr= 1--      90.741                  3.616                  4.000
 ROA1   Fr= 1--     -50.245                 46.485                 45.830
 CID1   Fr= 1--      -0.554                 12.856                 11.458
 Raman2 Fr= 1--       5.525                  0.403                  1.343
 ROA2   Fr= 1--     -11.480                  8.485                 20.216
 CID2   Fr= 1--      -2.078                 21.044                 15.056
 Raman3 Fr= 1--      11.049                  0.806                  2.686
 ROA3   Fr= 1--     -50.245                 46.485                 45.830
 CID3   Fr= 1--      -4.547                 57.646                 17.066
 RC180  Fr= 1--      -0.756                 -0.554                  0.343
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.06   0.01    -0.14  -0.09  -0.01    -0.06  -0.00   0.00
     2   6     0.05  -0.03  -0.00     0.07  -0.08  -0.01     0.12  -0.06  -0.01
     3   6     0.25   0.01   0.00    -0.02   0.26   0.04     0.02  -0.02  -0.01
     4   6     0.02  -0.03  -0.00    -0.13  -0.07  -0.01    -0.12  -0.02  -0.00
     5   6    -0.06  -0.05  -0.00     0.13  -0.10  -0.01     0.05  -0.03  -0.00
     6   6     0.02   0.01   0.00     0.02   0.13   0.01     0.02   0.12   0.01
     7   6    -0.12  -0.03  -0.03     0.11  -0.07  -0.07    -0.06   0.02   0.04
     8   7     0.02   0.04   0.02    -0.04   0.02   0.01     0.01   0.00   0.00
     9   6     0.03   0.05   0.02    -0.05   0.05   0.02     0.03  -0.02  -0.02
    10   1    -0.03  -0.01   0.09     0.13  -0.02   0.24    -0.05   0.00  -0.05
    11   1    -0.69  -0.09  -0.12    -0.01  -0.18   0.36     0.20   0.12  -0.30
    12   1    -0.02   0.07  -0.14     0.15   0.08  -0.07    -0.11  -0.05   0.07
    13   1    -0.08  -0.09   0.09     0.11  -0.14  -0.00    -0.07   0.05   0.00
    14   1     0.00  -0.04  -0.09    -0.08  -0.15   0.03     0.03   0.02   0.01
    15   1    -0.37  -0.20  -0.01    -0.12  -0.07   0.01     0.46   0.21   0.01
    16   1    -0.26   0.10   0.01    -0.24   0.19   0.02     0.15  -0.11  -0.01
    17   1     0.00  -0.04  -0.00    -0.01  -0.09  -0.01    -0.05  -0.31  -0.03
    18   1    -0.21   0.00   0.00     0.41   0.12   0.01    -0.22  -0.06  -0.00
    19   1    -0.11   0.10   0.01     0.20  -0.18  -0.01    -0.43   0.36   0.04
    20   1     0.00  -0.08   0.04    -0.03  -0.02  -0.28     0.01  -0.03   0.05
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1376.2065              1406.5884              1412.6914
 Red. masses --      1.2046                 1.2322                 1.4245
 Frc consts  --      1.3442                 1.4363                 1.6749
 IR Inten    --      4.7058                 7.7464                12.1612
 RamAct Fr= 1--      4.1643                 0.2081                 2.5256
  Dep-P Fr= 1--      0.6862                 0.6935                 0.5702
  Dep-U Fr= 1--      0.8139                 0.8190                 0.7263
 Alpha2 Fr= 1--      0.0047                 0.0002                 0.0086
 Beta2  Fr= 1--      0.5649                 0.0284                 0.3057
 AlphaG Fr= 1--     -0.0008                -0.0016                 0.0289
 Gamma2 Fr= 1--     -2.0650                -0.0650                 0.9536
 Delta2 Fr= 1--      0.0827                 0.0709                 0.0871
 Raman1 Fr= 1--      16.657                  0.832                 10.102
 ROA1   Fr= 1--    -195.590                 -3.976                 94.337
 CID1   Fr= 1--     -11.742                 -4.777                  9.338
 Raman2 Fr= 1--       6.779                  0.341                  3.668
 ROA2   Fr= 1--     -50.221                 -2.128                 22.190
 CID2   Fr= 1--      -7.409                 -6.243                  6.049
 Raman3 Fr= 1--      13.557                  0.682                  7.337
 ROA3   Fr= 1--    -195.590                 -3.976                 94.337
 CID3   Fr= 1--     -14.427                 -5.832                 12.858
 RC180  Fr= 1--       0.628                  0.638                  0.453
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.00    -0.00  -0.00  -0.00    -0.05  -0.00  -0.00
     2   6     0.02  -0.01  -0.00    -0.00   0.00   0.00     0.02  -0.00   0.00
     3   6    -0.01  -0.05  -0.00    -0.00   0.01  -0.00     0.04   0.02   0.00
     4   6    -0.02  -0.00  -0.00     0.01   0.00   0.00     0.01   0.02   0.00
     5   6    -0.02   0.02   0.00     0.01  -0.00  -0.00     0.03  -0.04  -0.00
     6   6     0.00   0.02   0.00    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00
     7   6     0.03   0.04  -0.08    -0.01  -0.01   0.01    -0.15   0.03  -0.02
     8   7     0.01  -0.04  -0.01     0.00  -0.00   0.00     0.04  -0.04  -0.02
     9   6    -0.01   0.05   0.02     0.07   0.07  -0.10     0.04  -0.02   0.02
    10   1    -0.02  -0.00  -0.10     0.00   0.01  -0.02    -0.14  -0.00  -0.25
    11   1    -0.26  -0.19   0.79     0.06   0.01  -0.01     0.61   0.06   0.39
    12   1     0.01   0.06  -0.06    -0.29  -0.08   0.48    -0.16  -0.00  -0.19
    13   1    -0.01  -0.11   0.06    -0.40  -0.37   0.21    -0.10   0.21   0.02
    14   1    -0.05  -0.14   0.02    -0.03  -0.34   0.44     0.03   0.01  -0.05
    15   1     0.21   0.08   0.02    -0.04  -0.02  -0.00    -0.18  -0.05   0.00
    16   1     0.15  -0.11  -0.01    -0.04   0.03   0.00    -0.19   0.14   0.01
    17   1    -0.02  -0.13  -0.01     0.01   0.05   0.00     0.02   0.15   0.02
    18   1    -0.17  -0.06  -0.01     0.04   0.02   0.00     0.13   0.07   0.00
    19   1    -0.16   0.13   0.01     0.06  -0.05  -0.01     0.05  -0.02  -0.00
    20   1     0.02   0.07   0.13     0.00   0.01   0.01     0.05   0.04   0.31
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1490.4102              1493.6132              1496.3249
 Red. masses --      1.3830                 1.2680                 1.1895
 Frc consts  --      1.8100                 1.6667                 1.5692
 IR Inten    --      6.4099                 1.1655                 7.6628
 RamAct Fr= 1--      2.0375                 4.1431                 3.3018
  Dep-P Fr= 1--      0.7233                 0.7477                 0.5139
  Dep-U Fr= 1--      0.8395                 0.8556                 0.6789
 Alpha2 Fr= 1--      0.0009                 0.0002                 0.0153
 Beta2  Fr= 1--      0.2851                 0.5908                 0.3736
 AlphaG Fr= 1--     -0.0129                -0.0003                -0.0423
 Gamma2 Fr= 1--     -1.4522                 1.8422                -2.8652
 Delta2 Fr= 1--      0.1033                -1.5147                 1.1969
 Raman1 Fr= 1--       8.150                 16.573                 13.207
 ROA1   Fr= 1--    -136.103                128.378               -236.759
 CID1   Fr= 1--     -16.700                  7.746                -17.927
 Raman2 Fr= 1--       3.421                  7.090                  4.483
 ROA2   Fr= 1--     -35.679                 56.330                -78.341
 CID2   Fr= 1--     -10.430                  7.945                -17.475
 Raman3 Fr= 1--       6.842                 14.180                  8.966
 ROA3   Fr= 1--    -136.103                128.378               -236.759
 CID3   Fr= 1--     -19.893                  9.054                -26.406
 RC180  Fr= 1--       0.679                  0.711                  0.358
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.02   0.00     0.05  -0.02  -0.00    -0.04   0.00   0.00
     2   6     0.06   0.02   0.00    -0.04  -0.01  -0.00     0.02   0.02   0.00
     3   6    -0.01  -0.09  -0.01     0.02   0.07   0.01    -0.01  -0.05  -0.01
     4   6    -0.04   0.04   0.00     0.03  -0.03  -0.00    -0.04   0.01   0.00
     5   6     0.08  -0.01  -0.00    -0.06   0.00   0.00     0.04   0.01   0.00
     6   6    -0.01  -0.07  -0.01     0.01   0.06   0.01     0.00  -0.04  -0.00
     7   6    -0.01   0.02  -0.02    -0.02  -0.03  -0.02     0.06  -0.01   0.00
     8   7     0.01  -0.00   0.00     0.00   0.00   0.00    -0.01   0.01   0.00
     9   6    -0.03  -0.01  -0.02    -0.00  -0.04  -0.03     0.03  -0.03   0.00
    10   1    -0.03   0.00  -0.03    -0.02  -0.01   0.01     0.05  -0.00   0.08
    11   1    -0.11  -0.02   0.06     0.12  -0.02   0.06    -0.24  -0.05  -0.04
    12   1     0.54   0.01   0.22     0.41   0.05  -0.14    -0.21   0.04  -0.46
    13   1    -0.09  -0.30   0.08    -0.43   0.09   0.14    -0.36   0.51   0.04
    14   1     0.09   0.48   0.09     0.11   0.45   0.44     0.00  -0.11   0.40
    15   1     0.08   0.09   0.01    -0.06  -0.07  -0.01     0.12   0.08   0.01
    16   1    -0.15   0.18   0.02     0.11  -0.14  -0.01    -0.02   0.07   0.01
    17   1     0.05   0.34   0.04    -0.04  -0.28  -0.03     0.04   0.19   0.02
    18   1     0.17   0.12   0.01    -0.13  -0.09  -0.01     0.14   0.08   0.01
    19   1    -0.08   0.13   0.03     0.03  -0.08   0.00     0.01   0.04  -0.00
    20   1     0.01  -0.01   0.01     0.00  -0.01  -0.01    -0.01   0.01  -0.08
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1536.5278              1630.5898              1647.7431
 Red. masses --      2.2281                 5.4311                 1.8976
 Frc consts  --      3.0993                 8.5081                 3.0355
 IR Inten    --      7.4663                 0.6408                13.3717
 RamAct Fr= 1--      0.0779                 8.7020                17.9773
  Dep-P Fr= 1--      0.7407                 0.7458                 0.7189
  Dep-U Fr= 1--      0.8510                 0.8544                 0.8365
 Alpha2 Fr= 1--      0.0000                 0.0006                 0.0096
 Beta2  Fr= 1--      0.0110                 1.2392                 2.5063
 AlphaG Fr= 1--      0.0002                 0.0027                -0.0175
 Gamma2 Fr= 1--      0.2130                 0.1563                -1.4904
 Delta2 Fr= 1--     -0.0559                 0.0356                 0.7281
 Raman1 Fr= 1--       0.311                 34.808                 71.909
 ROA1   Fr= 1--      18.654                 16.143               -119.778
 CID1   Fr= 1--      59.898                  0.464                 -1.666
 Raman2 Fr= 1--       0.133                 14.870                 30.075
 ROA2   Fr= 1--       5.558                  3.467                -41.594
 CID2   Fr= 1--      41.945                  0.233                 -1.383
 Raman3 Fr= 1--       0.265                 29.740                 60.150
 ROA3   Fr= 1--      18.654                 16.143               -119.778
 CID3   Fr= 1--      70.383                  0.543                 -1.991
 RC180  Fr= 1--       0.702                  0.709                  0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13  -0.09  -0.01    -0.09  -0.19  -0.02    -0.12  -0.01  -0.00
     2   6    -0.05   0.11   0.01    -0.08   0.20   0.02     0.12  -0.05  -0.01
     3   6     0.14  -0.02  -0.00    -0.04  -0.30  -0.03    -0.09   0.01  -0.00
     4   6    -0.08  -0.09  -0.01     0.11   0.17   0.02     0.13   0.02   0.00
     5   6    -0.10   0.12   0.01     0.05  -0.22  -0.02    -0.11   0.04   0.01
     6   6     0.11  -0.01  -0.00     0.04   0.35   0.04     0.06  -0.00  -0.00
     7   6    -0.05   0.01  -0.00     0.02   0.03   0.00    -0.00  -0.02   0.01
     8   7     0.01  -0.00   0.00    -0.00  -0.00  -0.00    -0.04  -0.03  -0.05
     9   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   1    -0.05   0.00  -0.05     0.03   0.01  -0.00     0.59   0.07   0.25
    11   1     0.01   0.01   0.02    -0.24  -0.01  -0.01    -0.00  -0.00  -0.06
    12   1     0.02  -0.01   0.08    -0.02  -0.01   0.02     0.02   0.00  -0.00
    13   1     0.06  -0.08  -0.00     0.02  -0.01  -0.00    -0.01  -0.01   0.00
    14   1    -0.00   0.02  -0.09    -0.00  -0.01  -0.02     0.01   0.02   0.00
    15   1     0.41   0.09   0.01    -0.28   0.02   0.01    -0.14  -0.09  -0.01
    16   1     0.40  -0.26  -0.03    -0.26   0.00   0.00     0.09  -0.11  -0.01
    17   1     0.13  -0.03  -0.00    -0.08  -0.47  -0.05     0.07  -0.01  -0.00
    18   1     0.46   0.13   0.01     0.22  -0.09  -0.01     0.12   0.09   0.01
    19   1     0.40  -0.23  -0.02     0.31  -0.09  -0.01    -0.12   0.14   0.00
    20   1     0.00  -0.02   0.02     0.00   0.03   0.03     0.02   0.50   0.37
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1655.0859              3024.7747              3026.4526
 Red. masses --      1.7570                 1.0358                 1.0832
 Frc consts  --      2.8358                 5.5834                 5.8457
 IR Inten    --     27.2956                24.5281                18.5298
 RamAct Fr= 1--     14.2584               163.8502               102.6870
  Dep-P Fr= 1--      0.5451                 0.0418                 0.1390
  Dep-U Fr= 1--      0.7056                 0.0802                 0.2441
 Alpha2 Fr= 1--      0.0560                 3.3003                 1.6320
 Beta2  Fr= 1--      1.6767                 2.1911                 4.1783
 AlphaG Fr= 1--      0.0725                -0.0424                -0.3541
 Gamma2 Fr= 1--      2.7349                 0.7087                 2.5351
 Delta2 Fr= 1--     -0.2294                -1.1309                 1.4767
 Raman1 Fr= 1--      57.034                655.401                410.748
 ROA1   Fr= 1--     255.205                 31.847                290.623
 CID1   Fr= 1--       4.475                  0.049                  0.708
 Raman2 Fr= 1--      20.121                 26.294                 50.140
 ROA2   Fr= 1--      67.472                 26.056                 49.028
 CID2   Fr= 1--       3.353                  0.991                  0.978
 Raman3 Fr= 1--      40.241                 52.587                100.280
 ROA3   Fr= 1--     255.205                 31.847                290.623
 CID3   Fr= 1--       6.342                  0.606                  2.898
 RC180  Fr= 1--       0.411                 -0.840                 -0.512
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10   0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.11   0.05   0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.10  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.12  -0.02  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.09  -0.04  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.05   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   6    -0.03  -0.02   0.01     0.00  -0.01  -0.00     0.01  -0.08  -0.02
     8   7    -0.04  -0.03  -0.05    -0.00   0.00   0.00    -0.00   0.00  -0.00
     9   6     0.00   0.00   0.00    -0.03  -0.02   0.04    -0.00   0.02   0.00
    10   1     0.60   0.07   0.24     0.00  -0.00   0.00     0.01  -0.02  -0.00
    11   1     0.01   0.00  -0.06    -0.02   0.15   0.03    -0.14   0.94   0.19
    12   1     0.03   0.00   0.00    -0.06   0.50   0.10     0.03  -0.23  -0.04
    13   1     0.00  -0.02   0.01    -0.23  -0.12  -0.51     0.01   0.01   0.04
    14   1     0.01   0.04  -0.02     0.61  -0.14   0.00    -0.02   0.01   0.00
    15   1     0.14   0.08   0.01     0.00  -0.00  -0.00     0.01  -0.02  -0.00
    16   1    -0.07   0.09   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.05   0.02   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    18   1    -0.10  -0.07  -0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1     0.10  -0.11  -0.02    -0.01  -0.01  -0.00     0.01   0.01   0.00
    20   1     0.02   0.51   0.40     0.00   0.00   0.00    -0.00  -0.00  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3087.2422              3095.3151              3160.7996
 Red. masses --      1.1020                 1.1016                 1.0853
 Frc consts  --      6.1880                 6.2182                 6.3885
 IR Inten    --     39.0955                31.1105                 7.1553
 RamAct Fr= 1--     93.9672                37.1324                18.9629
  Dep-P Fr= 1--      0.7023                 0.5606                 0.4274
  Dep-U Fr= 1--      0.8251                 0.7185                 0.5989
 Alpha2 Fr= 1--      0.0781                 0.1335                 0.1270
 Beta2  Fr= 1--     12.9220                 4.4465                 1.8928
 AlphaG Fr= 1--     -0.0073                 0.0198                -0.0108
 Gamma2 Fr= 1--     -1.8802                 2.4566                -0.2523
 Delta2 Fr= 1--      1.5752                 1.0934                -0.2443
 Raman1 Fr= 1--     375.869                148.530                 75.852
 ROA1   Fr= 1--    -130.091                270.820                -32.041
 CID1   Fr= 1--      -0.346                  1.823                 -0.422
 Raman2 Fr= 1--     155.064                 53.358                 22.714
 ROA2   Fr= 1--     -57.725                 50.211                 -4.101
 CID2   Fr= 1--      -0.372                  0.941                 -0.181
 Raman3 Fr= 1--     310.128                106.716                 45.427
 ROA3   Fr= 1--    -130.091                270.820                -32.041
 CID3   Fr= 1--      -0.419                  2.538                 -0.705
 RC180  Fr= 1--       0.650                  0.437                  0.198
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.04   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.04  -0.05  -0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01   0.02   0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.02  -0.00
     6   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.02  -0.00  -0.00
     7   6    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00   0.00  -0.00
     8   7     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   6    -0.08   0.03  -0.04    -0.00  -0.07  -0.05     0.00  -0.00  -0.00
    10   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    11   1     0.01  -0.07  -0.01    -0.02   0.15   0.03     0.00  -0.00  -0.00
    12   1     0.01  -0.28  -0.06    -0.09   0.76   0.13    -0.00   0.04   0.01
    13   1     0.20   0.13   0.51     0.23   0.11   0.53     0.00   0.00   0.01
    14   1     0.75  -0.17  -0.01    -0.13   0.01  -0.01    -0.00   0.00  -0.00
    15   1    -0.00   0.01   0.00     0.01  -0.01  -0.00     0.10  -0.25  -0.02
    16   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.17   0.22   0.02
    17   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.30   0.04   0.01
    18   1     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.18  -0.47  -0.05
    19   1     0.01   0.01   0.00    -0.03  -0.04  -0.00     0.43   0.55   0.05
    20   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3164.8426              3174.7777              3183.0837
 Red. masses --      1.0868                 1.0897                 1.0935
 Frc consts  --      6.4136                 6.4714                 6.5278
 IR Inten    --      2.4075                 7.8683                32.3042
 RamAct Fr= 1--     84.6266               118.7700                29.3117
  Dep-P Fr= 1--      0.7394                 0.4922                 0.7487
  Dep-U Fr= 1--      0.8502                 0.6597                 0.8563
 Alpha2 Fr= 1--      0.0152                 0.6080                 0.0006
 Beta2  Fr= 1--     11.9915                13.0588                 4.1834
 AlphaG Fr= 1--     -0.0013                -0.0027                -0.0013
 Gamma2 Fr= 1--     -1.9798                -0.8611                 0.5540
 Delta2 Fr= 1--     -0.4584                -0.3996                -0.6339
 Raman1 Fr= 1--     338.506                475.080                117.247
 ROA1   Fr= 1--    -204.735                -95.450                 32.898
 CID1   Fr= 1--      -0.605                 -0.201                  0.281
 Raman2 Fr= 1--     143.898                156.706                 50.200
 ROA2   Fr= 1--     -43.849                -17.469                 18.367
 CID2   Fr= 1--      -0.305                 -0.111                  0.366
 Raman3 Fr= 1--     287.797                313.412                100.401
 ROA3   Fr= 1--    -204.735                -95.450                 32.898
 CID3   Fr= 1--      -0.711                 -0.305                  0.328
 RC180  Fr= 1--       0.700                  0.319                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00     0.01  -0.03  -0.00     0.02  -0.05  -0.01
     2   6    -0.02  -0.03  -0.00    -0.02  -0.03  -0.00    -0.02  -0.02  -0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4   6     0.02  -0.06  -0.01    -0.01   0.04   0.00     0.01  -0.03  -0.00
     5   6     0.02   0.03   0.00     0.01   0.01   0.00    -0.03  -0.04  -0.00
     6   6    -0.01   0.00   0.00    -0.05   0.01   0.00     0.01   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   7    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   1    -0.00   0.02   0.00     0.00  -0.01  -0.00    -0.00   0.01   0.00
    12   1    -0.00   0.03   0.01    -0.00   0.02   0.00    -0.00   0.01   0.00
    13   1     0.00   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    14   1    -0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.26   0.67   0.06     0.17  -0.44  -0.04    -0.13   0.34   0.03
    16   1    -0.30  -0.38  -0.04    -0.14  -0.17  -0.02     0.38   0.48   0.05
    17   1     0.16  -0.02  -0.00     0.63  -0.09  -0.01    -0.07   0.01   0.00
    18   1     0.05  -0.13  -0.01    -0.13   0.33   0.03    -0.23   0.57   0.06
    19   1     0.27   0.34   0.03     0.26   0.34   0.03     0.19   0.24   0.02
    20   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3194.4313              3472.0778              3551.7595
 Red. masses --      1.0975                 1.0482                 1.0931
 Frc consts  --      6.5987                 7.4452                 8.1242
 IR Inten    --     14.2345                 1.8000                 0.3018
 RamAct Fr= 1--    310.0239               170.3824                61.6417
  Dep-P Fr= 1--      0.0921                 0.1333                 0.6542
  Dep-U Fr= 1--      0.1687                 0.2353                 0.7909
 Alpha2 Fr= 1--      5.5331                 2.7468                 0.1058
 Beta2  Fr= 1--      8.7189                 6.6823                 8.1258
 AlphaG Fr= 1--      0.0203                -0.3460                 0.2106
 Gamma2 Fr= 1--      0.6895                -2.4989                 3.3847
 Delta2 Fr= 1--      0.0234                -5.5133                 2.6900
 Raman1 Fr= 1--    1240.096                681.529                246.567
 ROA1   Fr= 1--      66.942               -416.322                411.012
 CID1   Fr= 1--       0.054                 -0.611                  1.667
 Raman2 Fr= 1--     104.627                 80.188                 97.510
 ROA2   Fr= 1--      16.361                -15.868                 59.712
 CID2   Fr= 1--       0.156                 -0.198                  0.612
 Raman3 Fr= 1--     209.253                160.376                195.020
 ROA3   Fr= 1--      66.942               -416.322                411.012
 CID3   Fr= 1--       0.320                 -2.596                  2.108
 RC180  Fr= 1--      -0.663                 -0.529                  0.582
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.04   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.01   0.01   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.01  -0.02  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.03  -0.04  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.06   0.01   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   7    -0.00   0.00  -0.00    -0.04  -0.04  -0.02     0.06  -0.05  -0.02
     9   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    10   1     0.00   0.00   0.00    -0.20   0.59   0.23    -0.19   0.68   0.25
    11   1    -0.00   0.00   0.00    -0.00   0.01   0.00    -0.00   0.01   0.00
    12   1     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    14   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    15   1    -0.07   0.18   0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
    16   1     0.31   0.40   0.04    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   1     0.67  -0.10  -0.01    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   1     0.16  -0.42  -0.04    -0.00   0.00   0.00     0.00  -0.00   0.00
    19   1    -0.10  -0.13  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    20   1     0.00  -0.00  -0.00     0.74  -0.07  -0.00    -0.66   0.03   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   121.08915 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   527.103851650.114751809.83533
           X            0.99992   0.00795  -0.00954
           Y           -0.00774   0.99972   0.02235
           Z            0.00972  -0.02227   0.99970
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16432     0.05249     0.04786
 Rotational constants (GHZ):           3.42388     1.09371     0.99719
 Zero-point vibrational energy     455246.6 (Joules/Mol)
                                  108.80656 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     39.97   185.28   282.40   345.89   374.44
          (Kelvin)            463.64   477.02   595.99   693.39   789.13
                              855.14   919.45  1024.54  1102.36  1124.57
                             1209.71  1227.07  1313.44  1334.69  1376.63
                             1402.66  1456.08  1477.12  1517.93  1545.40
                             1601.13  1614.07  1704.70  1726.79  1737.57
                             1776.33  1916.83  1952.17  1980.05  2023.77
                             2032.55  2144.37  2148.98  2152.88  2210.72
                             2346.05  2370.73  2381.30  4351.98  4354.39
                             4441.85  4453.47  4547.69  4553.50  4567.80
                             4579.75  4596.07  4995.55  5110.19
 
 Zero-point correction=                           0.173394 (Hartree/Particle)
 Thermal correction to Energy=                    0.182034
 Thermal correction to Enthalpy=                  0.182978
 Thermal correction to Gibbs Free Energy=         0.139457
 Sum of electronic and zero-point Energies=           -366.225081
 Sum of electronic and thermal Energies=              -366.216441
 Sum of electronic and thermal Enthalpies=            -366.215497
 Sum of electronic and thermal Free Energies=         -366.259018
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  114.228             33.154             91.598
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.288
 Rotational               0.889              2.981             28.844
 Vibrational            112.451             27.193             22.465
 Vibration     1          0.593              1.984              5.982
 Vibration     2          0.611              1.924              2.964
 Vibration     3          0.636              1.845              2.168
 Vibration     4          0.657              1.779              1.800
 Vibration     5          0.668              1.745              1.660
 Vibration     6          0.707              1.631              1.299
 Vibration     7          0.714              1.613              1.253
 Vibration     8          0.778              1.439              0.912
 Vibration     9          0.838              1.290              0.705
 Vibration    10          0.904              1.143              0.547
 Vibration    11          0.952              1.044              0.459
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.714652D-64        -64.145906       -147.701406
 Total V=0       0.407247D+16         15.609858         35.943026
 Vib (Bot)       0.303817D-77        -77.517388       -178.490381
 Vib (Bot)    1  0.745469D+01          0.872430          2.008843
 Vib (Bot)    2  0.158356D+01          0.199636          0.459678
 Vib (Bot)    3  0.101733D+01          0.007460          0.017178
 Vib (Bot)    4  0.815480D+00         -0.088587         -0.203979
 Vib (Bot)    5  0.746231D+00         -0.127127         -0.292720
 Vib (Bot)    6  0.582564D+00         -0.234656         -0.540316
 Vib (Bot)    7  0.563024D+00         -0.249473         -0.574433
 Vib (Bot)    8  0.425748D+00         -0.370847         -0.853907
 Vib (Bot)    9  0.346459D+00         -0.460348         -1.059990
 Vib (Bot)   10  0.286543D+00         -0.542810         -1.249867
 Vib (Bot)   11  0.252688D+00         -0.597416         -1.375600
 Vib (V=0)       0.173131D+03          2.238376          5.154051
 Vib (V=0)    1  0.797144D+01          0.901537          2.075865
 Vib (V=0)    2  0.216062D+01          0.334579          0.770397
 Vib (V=0)    3  0.163356D+01          0.213134          0.490760
 Vib (V=0)    4  0.145656D+01          0.163328          0.376077
 Vib (V=0)    5  0.139825D+01          0.145586          0.335224
 Vib (V=0)    6  0.126771D+01          0.103020          0.237213
 Vib (V=0)    7  0.125299D+01          0.097948          0.225534
 Vib (V=0)    8  0.115670D+01          0.063223          0.145575
 Vib (V=0)    9  0.110830D+01          0.044659          0.102831
 Vib (V=0)   10  0.107629D+01          0.031928          0.073517
 Vib (V=0)   11  0.106022D+01          0.025398          0.058480
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523735D+08          7.719112         17.773912
 Rotational      0.449128D+06          5.652370         13.015064
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3      33333 3333                                               111 1111 11111 1111111111                                    
     5  4      11111 0000                                               666 5444 44333 2221110000999988 77 7  65 5 4  4 33 221  1    
     5  7      98766 9822                                               543 3999 10753 3008217521752154 86 1  39 4 8  1 32 649  2   2
     2  2      43551 5765                                               581 7640 37672 5805234572578331 26 2  94 8 2  4 22 006  9   8
 
     X  X      XXXXX XXXX                                               XXX XXXX XXXXX X XXXXXXXXX XXXX XX X   X X X    XX XXX  X   X
               XX    XXXX                                               XX       X           X      X X XX X                XX       
                X    XXXX                                               X                    X        X X  X                 X       
                X    XX X                                               X                             X X  X                 X       
                X    XX                                                                               X X  X                 X       
                      X                                                                               X X  X                         
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000017300   -0.000000289    0.000001873
      2        6          -0.000011025    0.000013233   -0.000000966
      3        6           0.000002585   -0.000010336    0.000003593
      4        6           0.000019614    0.000004904    0.000001834
      5        6          -0.000012046    0.000013336    0.000000431
      6        6           0.000000729   -0.000017672   -0.000002444
      7        6          -0.000029352   -0.000016342   -0.000045414
      8        7           0.000010797    0.000003096    0.000040991
      9        6           0.000008579    0.000013081   -0.000003002
     10        1          -0.000000687    0.000003612   -0.000004408
     11        1           0.000001136    0.000003045    0.000007036
     12        1          -0.000002455   -0.000004821    0.000005252
     13        1           0.000000921   -0.000001690    0.000000937
     14        1          -0.000004859   -0.000001742   -0.000000058
     15        1          -0.000002159    0.000001207   -0.000001350
     16        1           0.000001835   -0.000001348    0.000002037
     17        1           0.000001652    0.000002041    0.000001343
     18        1          -0.000002639   -0.000000966   -0.000002100
     19        1          -0.000001664   -0.000002889    0.000001087
     20        1           0.000001738    0.000000539   -0.000006673
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000045414 RMS     0.000011039
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.131563D+03  0.629342D+00 -0.744588D+00
      2   0.629342D+00  0.105829D+03  0.263159D+01
      3  -0.744588D+00  0.263159D+01  0.762598D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.932768D+00 -0.255963D+01 -0.564994D+00
      2   0.279970D+01 -0.683189D+01  0.175691D+02
      3  -0.415378D+01  0.357841D+02  0.617548D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.650336D+02 -0.217952D+00  0.591513D+01
      2   0.135286D+02  0.412110D+01  0.532514D+01
      3   0.515050D+02 -0.390315D+01 -0.112403D+02
      4   0.789412D+01 -0.744070D+02 -0.165038D+02
      5  -0.913535D+01 -0.161910D+02  0.491812D+02
      6  -0.588672D+01 -0.699841D+01  0.376828D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.335176D+01 -0.571581D+00 -0.175035D+00  0.495483D+01 -0.271943D+00
      2  -0.571581D+00 -0.179267D+01 -0.254278D-01 -0.271943D+00  0.142679D+01
      3  -0.175035D+00 -0.254278D-01 -0.910801D+00  0.174977D+00 -0.451884D+00
                 6             7             8             9            10 
      1   0.174977D+00  0.670401D+00  0.243517D+00 -0.197940D+01 -0.279926D+01
      2  -0.451884D+00  0.243517D+00 -0.815931D+00  0.409990D+01 -0.719271D+00
      3   0.187049D+01 -0.197940D+01  0.409990D+01  0.117109D+01  0.981962D-01
                11            12            13            14            15 
      1  -0.719271D+00  0.981962D-01  0.774989D+01  0.305541D+00 -0.159233D+00
      2   0.335651D+01  0.214965D+00  0.305541D+00  0.101158D+01 -0.321691D+00
      3   0.214965D+00  0.144645D+01 -0.159233D+00 -0.321691D+00  0.139445D+01
                16            17            18            19            20 
      1   0.777040D+00 -0.542534D-01  0.185053D+01  0.155123D+02 -0.124106D+01
      2  -0.542534D-01 -0.380631D+00  0.322323D+01 -0.124106D+01  0.262903D+01
      3   0.185053D+01  0.322323D+01  0.769302D+00 -0.253360D-01  0.204678D+00
                21            22            23            24            25 
      1  -0.253360D-01 -0.282444D+01 -0.163695D+01 -0.822043D+00 -0.451810D+00
      2   0.204678D+00 -0.163695D+01 -0.776427D+00 -0.124038D+00 -0.644581D+00
      3   0.162180D+01 -0.822043D+00 -0.124038D+00  0.202544D+00  0.424897D+01
                26            27            28            29            30 
      1  -0.644581D+00  0.424897D+01 -0.430851D+01  0.238185D+01  0.192684D+00
      2  -0.254861D+00 -0.171305D+00  0.238185D+01  0.240049D+01  0.816654D-01
      3  -0.171305D+00  0.468313D-01  0.192684D+00  0.816654D-01  0.975732D+00
                31            32            33            34            35 
      1  -0.615832D+01  0.177251D+00  0.543871D-02 -0.706040D+00 -0.157991D+00
      2   0.177251D+00 -0.155294D+01  0.327953D+00 -0.157991D+00  0.711442D+00
      3   0.543871D-02  0.327953D+00 -0.187457D+01  0.115734D+01 -0.417489D+01
                36            37            38            39            40 
      1   0.115734D+01  0.164669D+01 -0.578201D+00 -0.751454D-02 -0.530351D+01
      2  -0.417489D+01 -0.578201D+00 -0.329784D+01 -0.297981D+00  0.757282D+00
      3  -0.124067D+01 -0.751454D-02 -0.297981D+00 -0.130070D+01  0.321490D+00
                41            42            43            44            45 
      1   0.757282D+00  0.321490D+00 -0.699189D+00  0.327894D+00 -0.308008D+01
      2  -0.365098D+00  0.503594D+00  0.327894D+00  0.558687D+00 -0.337486D+01
      3   0.503594D+00 -0.155916D+01 -0.308008D+01 -0.337486D+01 -0.791905D+00
                46            47            48            49            50 
      1  -0.541308D+01  0.155382D+00  0.178681D-01  0.721294D+00  0.851207D+00
      2   0.155382D+00 -0.323832D+01 -0.128488D+00  0.851207D+00 -0.395411D+00
      3   0.178681D-01 -0.128488D+00 -0.222815D+01  0.745654D+00 -0.211436D+00
                51            52            53            54            55 
      1   0.745654D+00  0.351567D-02  0.648025D+00 -0.547396D+01 -0.195983D+01
      2  -0.211436D+00  0.648025D+00 -0.238812D-01  0.601586D+00 -0.595810D+00
      3   0.334800D+00 -0.547396D+01  0.601586D+00  0.275968D+00  0.343456D+00
                56            57            58            59            60 
      1  -0.595810D+00  0.343456D+00 -0.186675D+01 -0.139309D+01  0.145913D+01
      2  -0.627249D+00  0.985937D+00 -0.139309D+01  0.579739D+01  0.248017D+01
      3   0.985937D+00 -0.323269D+01  0.145913D+01  0.248017D+01 -0.211251D+01
                61            62            63            64            65 
      1  -0.612637D+00  0.966664D+00 -0.553852D+01 -0.798596D+01  0.704856D-02
      2   0.966664D+00  0.222977D+01 -0.762569D+00  0.704856D-02  0.694140D+00
      3  -0.553852D+01 -0.762569D+00  0.448907D+00 -0.370662D+00 -0.347272D+00
                66            67            68            69            70 
      1  -0.370662D+00 -0.154772D-01  0.101503D+01 -0.902059D+00  0.307697D+01
      2  -0.347272D+00  0.101503D+01 -0.388935D+01 -0.111886D+01 -0.667766D+00
      3   0.915454D+00 -0.902059D+00 -0.111886D+01 -0.839739D+00  0.322530D+01
                71            72            73            74            75 
      1  -0.667766D+00  0.322530D+01 -0.865587D+01  0.187198D+01  0.255817D+00
      2  -0.167424D+01 -0.108523D+01  0.187198D+01  0.860015D+00 -0.686609D+00
      3  -0.108523D+01  0.409135D+01  0.255817D+00 -0.686609D+00  0.422597D+01
                76            77            78            79            80 
      1   0.428589D+01  0.875782D+00 -0.125968D+01 -0.215209D+01 -0.102461D+01
      2   0.875782D+00 -0.473690D+01 -0.160631D+01 -0.102461D+01 -0.151154D+01
      3  -0.125968D+01 -0.160631D+01  0.310513D+01  0.399841D+01  0.187660D+01
                81            82            83            84            85 
      1   0.399841D+01 -0.555050D+00  0.588054D+00  0.629257D-01  0.195310D+01
      2   0.187660D+01  0.588054D+00 -0.842079D+00 -0.233970D+00 -0.228954D-01
      3   0.346737D+01  0.629257D-01 -0.233970D+00 -0.811577D+00  0.429563D+00
                86            87            88            89            90 
      1  -0.228954D-01  0.429563D+00  0.601839D+00  0.166158D+00  0.184688D+00
      2   0.399290D+01  0.236702D+01  0.166158D+00  0.211162D+01  0.109045D+01
      3   0.236702D+01  0.219734D+01  0.184688D+00  0.109045D+01  0.206730D+01
                91            92            93            94            95 
      1   0.384398D-01 -0.122455D+01 -0.391028D+00 -0.242847D+01  0.175505D+01
      2  -0.122455D+01  0.114429D+01  0.121494D+00  0.175505D+01 -0.693038D+01
      3  -0.391028D+00  0.121494D+00  0.799485D+00  0.482240D-01 -0.125247D+01
                96            97            98            99           100 
      1   0.482240D-01 -0.473590D+00  0.145791D+00  0.891473D+00  0.703279D+00
      2  -0.125247D+01  0.145791D+00 -0.129102D+01 -0.114439D+01  0.601111D+00
      3  -0.147404D+01  0.891473D+00 -0.114439D+01 -0.844276D+00  0.931981D-01
               101           102           103           104           105 
      1   0.601111D+00  0.931981D-01  0.186497D+01  0.717587D+00 -0.322972D+00
      2  -0.119215D+00  0.159026D+00  0.717587D+00  0.658616D+01 -0.251341D+00
      3   0.159026D+00 -0.578489D+00 -0.322972D+00 -0.251341D+00  0.139945D+01
               106           107           108           109           110 
      1   0.664609D+00  0.245210D+00 -0.348545D+00 -0.170000D+00 -0.341492D+00
      2   0.245210D+00  0.788063D+00  0.618084D+00 -0.341492D+00 -0.469142D+00
      3  -0.348545D+00  0.618084D+00 -0.197561D+00 -0.973308D+00  0.195310D-01
               111           112           113           114           115 
      1  -0.973308D+00 -0.823222D+00 -0.148350D+00  0.155571D+00 -0.152897D+01
      2   0.195310D-01 -0.148350D+00 -0.939876D-01 -0.957420D+00 -0.113463D+00
      3  -0.266936D+01  0.155571D+00 -0.957420D+00 -0.152385D+01 -0.513234D+00
               116           117           118           119           120 
      1  -0.113463D+00 -0.513234D+00  0.125423D+02 -0.694875D+00 -0.194657D+01
      2  -0.108330D+01 -0.334723D+00 -0.694875D+00  0.107935D+01 -0.106558D-01
      3  -0.334723D+00 -0.924776D+01 -0.194657D+01 -0.106558D-01  0.142709D+01
               121           122           123           124           125 
      1  -0.224807D+01  0.113784D+01  0.539923D+00 -0.175661D+00  0.195582D+00
      2   0.113784D+01 -0.111760D+00 -0.590202D-01  0.195582D+00  0.201078D+00
      3   0.539923D+00 -0.590202D-01 -0.844215D+00  0.947575D+00 -0.271137D+00
               126           127           128           129           130 
      1   0.947575D+00  0.154898D+01 -0.177301D+01 -0.162270D+00 -0.158583D+01
      2  -0.271137D+00 -0.177301D+01  0.225105D+01  0.203228D+00  0.201471D+01
      3  -0.747750D+00 -0.162270D+00  0.203228D+00  0.206899D+00  0.201851D+00
               131           132           133           134           135 
      1   0.201471D+01  0.201851D+00 -0.819362D-01  0.218091D+00 -0.498685D-01
      2  -0.884956D+01 -0.700879D+00  0.218091D+00 -0.764696D+00 -0.140548D+00
      3  -0.700879D+00 -0.956358D+00 -0.498685D-01 -0.140548D+00 -0.171876D-01
               136           137           138           139           140 
      1  -0.492342D+01 -0.381874D+01 -0.352333D+00 -0.375010D+01 -0.442298D+01
      2  -0.381874D+01 -0.349824D+01 -0.267428D+00 -0.442298D+01 -0.658404D+01
      3  -0.352333D+00 -0.267428D+00 -0.618565D+00 -0.402873D+00 -0.526741D+00
               141           142           143           144           145 
      1  -0.402873D+00 -0.292151D+00 -0.395494D+00 -0.933260D-01 -0.128129D+02
      2  -0.526741D+00 -0.395494D+00 -0.614490D+00 -0.100257D+00  0.145020D+01
      3  -0.832748D+00 -0.933260D-01 -0.100257D+00 -0.632150D-01  0.235608D+00
               146           147           148           149           150 
      1   0.145020D+01  0.235608D+00  0.149375D+01 -0.173287D+01 -0.181991D+00
      2  -0.947466D+00 -0.708623D-02 -0.173287D+01  0.540970D+00  0.510368D-01
      3  -0.708623D-02 -0.978728D+00 -0.181991D+00  0.510368D-01  0.156880D+00
               151           152           153           154           155 
      1   0.179324D+00 -0.195176D+00  0.352167D-01 -0.215770D+01  0.254645D+01
      2  -0.195176D+00  0.599615D-01  0.294626D-01  0.254645D+01 -0.277620D+01
      3   0.352167D-01  0.294626D-01  0.824289D-02  0.274928D+00 -0.266027D+00
               156           157           158           159           160 
      1   0.274928D+00  0.227003D+01 -0.373777D+01 -0.397260D+00  0.265195D+00
      2  -0.266027D+00 -0.373777D+01  0.956266D+01  0.912969D+00 -0.409217D+00
      3  -0.370408D+00 -0.397260D+00  0.912969D+00  0.100333D+01 -0.447596D-01
               161           162           163           164           165 
      1  -0.409217D+00 -0.447596D-01  0.336726D+01  0.229312D+01  0.131840D+00
      2   0.996639D+00  0.154659D+00  0.229312D+01  0.237044D+01  0.164735D+00
      3   0.154659D+00  0.104484D+00  0.131840D+00  0.164735D+00  0.399633D+00
               166           167           168           169           170 
      1   0.265916D+01  0.286006D+01  0.230120D+00  0.858926D-01  0.212062D+00
      2   0.286006D+01  0.564938D+01  0.453337D+00  0.212062D+00  0.528411D+00
      3   0.230120D+00  0.453337D+00  0.793400D+00 -0.106612D+00  0.324417D-01
               171           172           173           174           175 
      1  -0.106612D+00  0.130306D+02 -0.336590D+00  0.269754D+01 -0.948705D+00
      2   0.324417D-01 -0.336590D+00  0.823102D+00  0.115686D+00  0.899525D+00
      3   0.329624D-01  0.269754D+01  0.115686D+00  0.168094D+01  0.136170D+00
               176           177           178           179           180 
      1   0.899525D+00  0.136170D+00  0.849282D+00  0.293554D+00  0.688787D+00
      2  -0.281969D+00  0.486023D+00  0.293554D+00  0.228925D+00 -0.166503D+00
      3   0.486023D+00 -0.440630D+00  0.688787D+00 -0.166503D+00  0.666514D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.216418D+00 -0.533215D-01  0.162735D+01 -0.559601D+00  0.126548D+00
      2   0.401091D+00  0.128120D+01  0.785718D+00  0.583224D+00  0.136188D+01
      3  -0.344133D+01 -0.137469D+02 -0.136719D+01  0.341787D+01  0.235626D+00
                 6             7             8             9            10 
      1  -0.247258D+01  0.521606D+01  0.123401D+00 -0.237207D+00 -0.624935D+00
      2  -0.419591D+01 -0.842975D+01 -0.949443D+01 -0.179268D+01 -0.329217D+00
      3  -0.878656D+00  0.477065D+00 -0.151796D+01  0.479400D+01  0.186379D-01
                11            12            13            14            15 
      1   0.766957D-01 -0.208333D+01  0.478942D+00 -0.213071D+00 -0.190013D+01
      2   0.480412D-01 -0.103859D+01  0.113942D+01 -0.437649D+00 -0.149584D+01
      3   0.389444D+00  0.320485D+00  0.108400D+01  0.587886D+01 -0.579719D-01
                16            17            18            19            20 
      1  -0.717352D+01  0.363709D+01 -0.146235D+00  0.367432D+00  0.491651D-01
      2  -0.129557D+02 -0.492251D+00 -0.600414D+00  0.533458D+00 -0.509169D+00
      3  -0.180778D+01 -0.704644D-01  0.662898D+01 -0.330152D+01  0.627409D+01
                21            22            23            24            25 
      1  -0.301648D+00  0.444937D+00 -0.105017D+01  0.110044D+01  0.114851D+01
      2  -0.236039D+01 -0.679794D+00 -0.589308D+00  0.110572D+01 -0.145603D+02
      3   0.541259D+00  0.154835D+02 -0.661278D+00  0.810397D+00  0.737586D+00
                26            27            28            29            30 
      1   0.971631D+01  0.132749D+01 -0.207906D+00 -0.129300D+00  0.129858D+01
      2   0.756800D-01 -0.309576D+00 -0.958344D+00  0.339487D+00 -0.289572D+00
      3   0.103852D+01 -0.220585D+01  0.697123D+01 -0.518095D+01 -0.566614D+00
                31            32            33            34            35 
      1  -0.842148D+00  0.896953D-01 -0.220051D+01  0.435162D+01  0.617578D+00
      2   0.137412D+01  0.689450D+00  0.167536D+01 -0.139978D+02  0.203983D+01
      3   0.447868D+01 -0.633503D+01 -0.138787D+00 -0.155927D+01 -0.490282D+00
                36            37            38            39            40 
      1  -0.587527D+00  0.268618D-01  0.406806D-01 -0.174763D+01  0.791857D+00
      2   0.125991D+01  0.223812D+00  0.843959D+00  0.206248D+01 -0.371685D+00
      3  -0.532168D+01 -0.451928D+01 -0.950805D+01 -0.706748D+00  0.689381D+01
                41            42            43            44            45 
      1  -0.735950D-01 -0.137617D+01 -0.679522D+01  0.390519D+01  0.456866D+00
      2  -0.161868D+01  0.459839D+01 -0.307775D+01  0.106025D+02  0.217260D+01
      3  -0.816296D+00  0.858617D+00  0.985903D+00  0.144965D+01 -0.514143D+01
                46            47            48            49            50 
      1   0.226267D-01  0.462681D-01  0.635719D+00 -0.926065D-01 -0.159269D+01
      2  -0.295906D+00 -0.248782D-01  0.604007D+01 -0.222702D+01  0.166319D+00
      3   0.287609D+01 -0.617691D+01 -0.188885D-01  0.124690D+02  0.227364D+01
                51            52            53            54            55 
      1   0.131676D+01  0.209917D+01  0.115937D+02  0.123723D+01 -0.853478D-01
      2  -0.119044D+01  0.797691D+01 -0.269068D+01 -0.821758D+00  0.646060D+00
      3  -0.250351D+00  0.156766D+01 -0.251693D+00  0.171309D+01  0.448971D+01
                56            57            58            59            60 
      1  -0.614937D+00  0.515463D+00  0.427366D+00 -0.416583D+00 -0.524612D+01
      2   0.117952D+01 -0.217829D+01  0.117257D+01  0.513262D+01 -0.412896D+01
      3   0.141291D+01 -0.159253D+01  0.971233D+01 -0.127573D+02 -0.718190D+01
                61            62            63            64            65 
      1  -0.182415D+01 -0.562474D+00  0.615913D+00 -0.139138D+01  0.292015D+01
      2  -0.132206D+02 -0.763189D-01 -0.189392D+01  0.152619D+02 -0.187076D+00
      3  -0.117535D-01 -0.573557D+01  0.468244D+01  0.289039D+01 -0.641730D+01
                66            67            68            69            70 
      1  -0.134210D+01  0.291735D+00 -0.916779D+01 -0.776547D+01  0.860254D+00
      2   0.829204D+01  0.949282D+00 -0.512692D+01 -0.103756D+01  0.183253D+01
      3   0.281725D+00 -0.355998D-01  0.108357D+02  0.519183D+01 -0.160849D+01
                71            72            73            74            75 
      1   0.141717D+01  0.215382D+01 -0.285828D+01 -0.189569D+01 -0.118919D+01
      2  -0.258973D+01  0.736416D+01 -0.103569D+02  0.649821D+00  0.137620D+02
      3   0.504226D+01  0.121551D+01 -0.112858D+02 -0.538147D+01  0.297302D+01
                76            77            78            79            80 
      1  -0.269054D-02  0.785738D+01 -0.134172D+01  0.596720D-01  0.353971D+01
      2   0.403610D+00 -0.282588D+01  0.597114D+01  0.607662D+01  0.331911D+01
      3  -0.518301D+00  0.160371D+02  0.423252D+01  0.350612D+01  0.389089D+01
                81            82            83            84            85 
      1  -0.809200D+01  0.220815D+01 -0.229714D+01  0.459386D+00 -0.111586D+01
      2   0.174431D+02  0.246770D+01 -0.152156D+01 -0.116695D+01 -0.263699D+01
      3  -0.455991D+01 -0.333224D+01  0.299459D+01  0.221873D+00  0.341165D+01
                86            87            88            89            90 
      1   0.988423D+01  0.290806D+01  0.189890D+00  0.496672D+01  0.169677D+01
      2   0.655026D+01  0.502898D+01 -0.765430D+00  0.233428D+01  0.400362D+01
      3  -0.102319D+02 -0.628645D+01 -0.649239D+00 -0.526005D+01 -0.275555D+01
                91            92            93            94            95 
      1   0.371604D+00 -0.310527D+00  0.801069D+00  0.753190D-01  0.133644D+01
      2  -0.934397D+00  0.164944D+00  0.202383D+01 -0.461433D+00 -0.252362D+01
      3   0.347628D+01 -0.253729D+01 -0.126360D+00  0.246583D+01  0.139165D+02
                96            97            98            99           100 
      1  -0.262911D+01  0.694109D+00  0.126422D+01 -0.488529D+00 -0.123218D+01
      2  -0.297204D+01 -0.183665D+00 -0.180910D+01 -0.119596D+01  0.423594D+00
      3   0.277734D+01  0.450902D+00  0.293888D+01  0.162560D+01 -0.266768D+01
               101           102           103           104           105 
      1   0.354059D+00  0.509508D+00  0.152724D+00 -0.100051D+02 -0.324251D+01
      2   0.774677D+00 -0.700652D+00  0.112895D+01  0.174877D+00  0.310497D+01
      3   0.917900D+00  0.984601D-01  0.326258D+01 -0.188678D+02 -0.373009D+00
               106           107           108           109           110 
      1   0.140767D+00 -0.216945D+00 -0.104292D+01  0.963182D+00  0.170855D+01
      2  -0.132600D+01  0.134782D+01 -0.601868D+00 -0.427309D+01 -0.567445D+00
      3   0.839880D+00 -0.277483D+01 -0.207006D+01  0.945183D+00  0.827867D+00
               111           112           113           114           115 
      1   0.123996D+01  0.903979D+00  0.512031D+00  0.111368D+01  0.762542D+00
      2  -0.735970D+01 -0.126311D+01 -0.231330D+01 -0.373657D+01 -0.675003D+01
      3  -0.476820D+00  0.154916D+01  0.547689D-01  0.196378D+01 -0.513909D+00
               116           117           118           119           120 
      1   0.430400D+01  0.455206D+01  0.153084D+01 -0.210420D+01 -0.260630D+00
      2  -0.131145D+01 -0.236970D+02  0.990913D+01 -0.114035D+01  0.493528D+01
      3   0.215383D+01  0.349730D+00  0.661833D+01 -0.686065D+01 -0.521573D+00
               121           122           123           124           125 
      1  -0.151706D+01  0.124470D+00 -0.693564D+00 -0.237827D+00  0.421310D+00
      2  -0.120026D+01  0.107133D+01 -0.213040D+01  0.520836D+00 -0.646239D+00
      3  -0.285209D+01  0.249057D+00  0.792301D-03 -0.100644D+01 -0.120931D+00
               126           127           128           129           130 
      1   0.563157D+00  0.281113D-01 -0.173971D+00  0.151755D+01  0.469062D-01
      2  -0.120625D+01  0.670500D+00 -0.412733D+00  0.174361D+00 -0.582723D+00
      3   0.114312D+01 -0.599313D+01  0.388686D+01  0.364208D+00  0.713833D+01
               131           132           133           134           135 
      1   0.362700D+00 -0.419016D+01 -0.530116D+00  0.200095D+01 -0.152579D+00
      2   0.985819D+00 -0.344323D+00 -0.121851D+01  0.194088D-01 -0.690159D-01
      3  -0.910563D+01 -0.961308D+00  0.660967D+00 -0.636516D+00  0.234699D+00
               136           137           138           139           140 
      1   0.658761D-01  0.263915D+00 -0.231635D+01 -0.769975D-01  0.248174D+00
      2   0.579442D-01  0.110665D+00  0.300704D+01  0.400335D+00  0.786710D+00
      3  -0.149612D+01 -0.470061D+01 -0.164985D+00 -0.356646D+01 -0.110788D+02
               141           142           143           144           145 
      1  -0.324095D+01  0.922608D+00  0.142316D+01 -0.166978D+00 -0.298419D-01
      2   0.340204D+01 -0.887475D+00 -0.711995D+00  0.133630D+00 -0.262389D+00
      3  -0.694511D+00 -0.326910D+00 -0.107265D+01 -0.513294D-01  0.885627D+00
               146           147           148           149           150 
      1  -0.871585D-01  0.706059D+00  0.309301D-01 -0.697468D-02 -0.414105D+00
      2  -0.775562D-01  0.622288D+01  0.700442D+00 -0.121794D+00 -0.906866D+00
      3  -0.534187D+01  0.102870D+00 -0.398206D+01  0.174519D+01  0.117128D+00
               151           152           153           154           155 
      1  -0.416098D+00  0.436797D+00 -0.166671D-02 -0.678766D-01 -0.110799D+00
      2  -0.276094D+01  0.218159D+00 -0.585759D-01 -0.109743D+00  0.129276D+00
      3  -0.837069D+00  0.233491D+00 -0.388980D-01  0.748181D+00 -0.244964D+01
               156           157           158           159           160 
      1   0.158375D+01  0.122541D+00  0.179772D+00 -0.444271D+01 -0.695645D+00
      2   0.145220D+01  0.199504D+00 -0.120573D+01 -0.292127D+01 -0.491318D+00
      3  -0.912453D-01 -0.118956D+01  0.139327D+02  0.116453D+01 -0.138486D+00
               161           162           163           164           165 
      1   0.182401D+01 -0.335365D+00  0.159166D+00  0.434516D+00 -0.237282D+01
      2   0.506307D+00 -0.283170D+00 -0.112486D+01 -0.329345D+00  0.830144D+00
      3   0.159690D+01  0.144060D+00  0.965980D+01  0.361679D+01  0.980103D-01
               166           167           168           169           170 
      1   0.168778D+00  0.837813D-01 -0.310193D+01  0.359054D+00  0.192208D+01
      2  -0.564270D+00 -0.578751D+00  0.132062D+01 -0.151529D+01 -0.159730D+00
      3   0.763657D+01  0.528856D+01  0.446991D+00  0.502022D-01  0.484384D+00
               171           172           173           174           175 
      1  -0.273311D-01  0.537481D+00  0.188305D+01  0.719303D+00  0.642510D+00
      2   0.154212D+00 -0.123219D+02  0.564674D+00  0.363771D+01  0.193582D+01
      3  -0.195205D+00 -0.385590D+01 -0.493636D+01 -0.683909D+00 -0.107562D+01
               176           177           178           179           180 
      1   0.404579D+00 -0.312789D+00  0.118185D+01  0.583622D+00 -0.100253D-01
      2   0.422363D+00 -0.114703D+01 -0.499355D-01 -0.794306D+00  0.368242D+00
      3  -0.280602D+00 -0.111030D+01 -0.816947D+00 -0.897874D+00 -0.191317D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.107055D+02  0.212220D+02  0.205274D+01 -0.206046D+02  0.121045D+02
      2  -0.113196D+02 -0.141818D+02 -0.567709D+00  0.181709D+02 -0.175777D+02
      3   0.614097D+00 -0.704012D+01 -0.148503D+01  0.243368D+01  0.547324D+01
      4   0.172754D+02 -0.584707D+01 -0.892406D+00  0.117709D+02  0.415023D+01
      5   0.142234D+01 -0.463539D+00 -0.988960D-01 -0.238874D+00  0.296695D+01
      6  -0.172923D+01 -0.418001D+00 -0.345681D+01  0.234731D+01 -0.501618D+01
                 6             7             8             9            10 
      1   0.197948D+01 -0.210611D+01  0.130687D+01 -0.595132D+01 -0.196172D+01
      2  -0.303600D+01  0.302022D+01 -0.494826D+01 -0.179601D+01  0.815887D+00
      3   0.105652D+01 -0.914110D+00  0.364139D+01  0.774733D+01  0.114584D+01
      4   0.297518D+01 -0.167785D+00  0.422390D+01 -0.160698D+02 -0.134339D+02
      5  -0.887000D+01  0.127269D+02 -0.165931D+02 -0.435832D+01 -0.611683D+00
      6   0.577898D+01 -0.776468D+01  0.168697D+02  0.167056D+01  0.428867D+00
                11            12            13            14            15 
      1  -0.171370D+02 -0.205388D+01  0.604136D+01  0.398688D+01  0.204159D+01
      2   0.133799D+02  0.838652D-01 -0.162814D+02 -0.756491D+01 -0.158235D+01
      3   0.375714D+01  0.197002D+01  0.102401D+02  0.357803D+01 -0.459236D+00
      4  -0.110518D+02 -0.892762D+00  0.547095D+01 -0.139271D+02 -0.123536D+01
      5  -0.101095D+01 -0.191139D+01  0.714326D+00 -0.119292D+01  0.282383D+00
      6   0.455906D+00  0.510547D+01 -0.385251D+01 -0.260496D+01  0.433211D+01
                16            17            18            19            20 
      1   0.300102D+00  0.192843D+01 -0.151909D+02 -0.198805D+02  0.373864D+01
      2  -0.296325D+01 -0.339405D+01  0.251075D+01  0.513060D+01 -0.330787D+01
      3   0.266314D+01  0.146562D+01  0.126802D+02  0.147499D+02 -0.430767D+00
      4   0.102710D+01 -0.115880D+01 -0.276016D+01  0.196109D+01  0.181721D+01
      5   0.610673D+00 -0.106391D+01  0.306454D+00  0.175672D+01 -0.485070D-01
      6   0.720337D+01  0.120506D+02  0.488929D+00 -0.142890D+01 -0.418716D+00
                21            22            23            24            25 
      1   0.155527D+01 -0.577506D+00 -0.991242D+01 -0.362737D+00  0.787112D+00
      2  -0.329052D+00  0.486508D+01  0.161752D+02  0.335199D+01  0.136237D+01
      3  -0.122621D+01 -0.428757D+01 -0.626277D+01 -0.298926D+01 -0.214948D+01
      4   0.239243D-01 -0.121914D+02  0.122992D+01 -0.765171D+00 -0.218479D+01
      5   0.964911D+00 -0.318142D+01 -0.484553D+00  0.215490D+01  0.852309D+01
      6  -0.147264D+01  0.136119D+01  0.215911D+01 -0.241502D+01 -0.172451D+01
                26            27            28            29            30 
      1  -0.833942D+00 -0.602995D+01  0.123616D+02  0.108522D+02  0.599645D+00
      2   0.214876D+01 -0.521595D+01 -0.961994D+01 -0.824169D+01  0.414375D-01
      3  -0.131482D+01  0.112459D+02 -0.274164D+01 -0.261047D+01 -0.641082D+00
      4  -0.714893D+00  0.122492D+01  0.599078D+01 -0.178419D+02 -0.176528D+01
      5   0.650064D+00 -0.713383D+00 -0.124863D+00 -0.173589D+01 -0.246899D+01
      6   0.355358D+01 -0.198407D+01 -0.500749D+00 -0.339969D+00 -0.304237D+01
                31            32            33            34            35 
      1  -0.385585D+00  0.936168D+01  0.187189D+01 -0.139182D+00  0.154733D+01
      2   0.926592D+01 -0.154737D+02 -0.300081D+01  0.227028D+01 -0.514373D+01
      3  -0.888033D+01  0.611206D+01  0.112892D+01 -0.213110D+01  0.359641D+01
      4   0.967609D+01  0.144306D+02  0.886702D+00 -0.627822D+00  0.735327D+00
      5   0.855417D+00  0.102542D+01  0.114499D+01  0.418399D+01  0.518298D+01
      6   0.223276D+01 -0.396081D+01  0.542551D+01 -0.296979D+01  0.173301D+02
                36            37            38            39            40 
      1  -0.159306D+02 -0.159770D+01 -0.238104D+02 -0.281353D+01  0.273444D+02
      2   0.418621D+01 -0.869528D+00  0.161714D+02  0.725317D+00 -0.259842D+02
      3   0.117444D+02  0.246723D+01  0.763898D+01  0.208821D+01 -0.136017D+01
      4   0.610072D+01 -0.147564D+02  0.364239D+01  0.174331D+00  0.415675D+00
      5   0.183325D+01 -0.104220D+01  0.612898D-01  0.464181D+01 -0.231130D+01
      6   0.286733D+01 -0.342239D+00  0.105210D+01  0.480713D+01 -0.344277D+01
                41            42            43            44            45 
      1   0.600576D+01  0.436455D+00  0.264798D+01  0.928905D+00  0.185743D+01
      2  -0.975812D+01 -0.732542D+00 -0.479276D+01 -0.302433D+01 -0.786865D+01
      3   0.375236D+01  0.296087D+00  0.214477D+01  0.209543D+01  0.601122D+01
      4  -0.111345D+02 -0.396814D+01 -0.117555D+01 -0.428701D+01  0.170795D+02
      5  -0.379787D+01  0.967551D+01  0.196378D+02  0.169645D+02  0.437442D+01
      6  -0.327953D+01  0.337354D+01  0.889981D+01  0.124592D+02  0.600841D-01
                46            47            48            49            50 
      1  -0.109318D+02  0.459306D+01  0.791341D+00 -0.904179D+01 -0.234841D+02
      2   0.805201D+01 -0.332471D+01 -0.328807D+00  0.902728D+01  0.201585D+02
      3   0.287982D+01 -0.126835D+01 -0.462534D+00  0.145093D-01  0.332562D+01
      4   0.232049D+01  0.213304D+02  0.746643D+00 -0.217989D+02  0.355141D+01
      5   0.912480D+00  0.633045D+00  0.139329D+02 -0.561659D+01  0.843432D+00
      6   0.704749D+00 -0.140806D-02 -0.176346D+01  0.133691D+01  0.215435D+01
                51            52            53            54            55 
      1  -0.413884D+01 -0.379309D+00 -0.399956D+01  0.161184D+02  0.123173D+02
      2   0.451288D+01  0.163147D+01  0.313606D+01 -0.187530D+02 -0.468330D+01
      3  -0.374037D+00 -0.125216D+01  0.863498D+00  0.263459D+01 -0.763402D+01
      4   0.133577D+01 -0.638838D+01  0.133905D+01 -0.448201D+01 -0.605527D+01
      5  -0.225101D+01  0.371329D+02 -0.410377D+01 -0.119377D+01  0.189773D+00
      6  -0.286672D+01 -0.285779D+01  0.407167D+01 -0.195295D+01  0.193103D+01
                56            57            58            59            60 
      1  -0.275349D+01  0.139710D+01 -0.790742D+01  0.341593D+01  0.496019D+01
      2   0.286712D+01 -0.275073D+00  0.108993D+02 -0.120510D+02 -0.847577D+01
      3  -0.113626D+00 -0.112202D+01 -0.299186D+01  0.863506D+01  0.351558D+01
      4  -0.753096D+01  0.486289D+01 -0.742435D+01  0.258673D+02  0.119887D+02
      5   0.442822D+01 -0.169435D+02  0.869763D+01  0.113367D+02 -0.110045D+02
      6   0.929301D+00 -0.147817D+01  0.405030D+01 -0.572903D+01 -0.987030D+00
                61            62            63            64            65 
      1   0.331924D+00  0.266903D+01 -0.856766D+01 -0.425439D+02  0.983460D+00
      2   0.303380D+01 -0.464056D+01  0.101794D+02  0.204428D+02 -0.205249D+00
      3  -0.336573D+01  0.197153D+01 -0.161176D+01  0.221011D+02 -0.778211D+00
      4   0.618137D+01  0.103592D+02 -0.509469D+01  0.378014D+01  0.924763D+01
      5  -0.356302D+02 -0.572447D+01  0.411541D+01 -0.189331D+02 -0.291517D+01
      6  -0.296765D+01 -0.843276D+01  0.406264D+01 -0.136597D+01  0.415083D+01
                66            67            68            69            70 
      1  -0.629127D+01 -0.116410D+01  0.517824D+01  0.275780D+01 -0.177395D+01
      2   0.160490D+01  0.122328D+01  0.329077D+01  0.165869D+00 -0.693402D+01
      3   0.468638D+01 -0.591816D-01 -0.846901D+01 -0.292367D+01  0.870797D+01
      4  -0.322207D+01  0.909032D+01 -0.183396D+02 -0.512705D+01 -0.445430D+01
      5   0.825523D+01 -0.625220D+01 -0.271852D+01 -0.474018D+01  0.240511D+02
      6  -0.705367D+00  0.271460D+01 -0.145645D+02 -0.905133D+00 -0.624731D+00
                71            72            73            74            75 
      1   0.122089D+01 -0.697760D+01 -0.526697D+02  0.807427D+01  0.128265D+02
      2   0.134421D+01 -0.162130D+02  0.293968D+02 -0.272272D+01  0.306050D+01
      3  -0.256510D+01  0.231906D+02  0.232730D+02 -0.535155D+01 -0.158870D+02
      4  -0.714054D+01 -0.430068D+01  0.990214D+01  0.710892D+01 -0.328647D+01
      5  -0.399799D+01  0.213127D+02  0.151837D+02 -0.597793D+01  0.177751D+02
      6   0.364571D+01 -0.536263D+01 -0.603460D+01 -0.331027D+01  0.282832D+01
                76            77            78            79            80 
      1   0.148950D+02  0.724969D+01  0.901749D+00  0.283301D+01  0.209658D+01
      2  -0.105407D+02 -0.150567D+02  0.552723D+01  0.549074D+01  0.319785D+00
      3  -0.435436D+01  0.780696D+01 -0.642898D+01 -0.832375D+01 -0.241637D+01
      4   0.641988D+01 -0.231319D+02 -0.850708D+01 -0.657551D+01 -0.768620D+01
      5  -0.117084D+02 -0.103569D+02  0.149839D+02  0.208366D+02  0.954885D+01
      6  -0.347655D+01  0.742978D+01  0.540512D+01  0.380957D+01  0.564758D+01
                81            82            83            84            85 
      1   0.252912D+02 -0.898586D+00  0.315646D+01  0.325328D+01  0.727295D+01
      2  -0.435191D-01  0.125014D+01 -0.146081D+01 -0.219749D+00 -0.473176D+01
      3  -0.252477D+02 -0.351553D+00 -0.169564D+01 -0.303353D+01 -0.254119D+01
      4   0.120785D+02  0.217281D+01 -0.305837D+01  0.468126D-01  0.170151D+01
      5   0.338793D+01  0.691068D+00  0.111504D+01 -0.134989D+01  0.548877D+01
      6  -0.915071D+01  0.225101D+01 -0.259221D+01 -0.775280D+00 -0.194268D+00
                86            87            88            89            90 
      1  -0.100332D+02 -0.490973D+01  0.279737D+01 -0.321679D+01 -0.503793D+01
      2   0.515355D+01 -0.511712D+00 -0.175431D+01 -0.435998D+00 -0.157943D+01
      3   0.487963D+01  0.542144D+01 -0.104306D+01  0.365279D+01  0.661736D+01
      4   0.178853D+02  0.107723D+02  0.932920D+00  0.943695D+01  0.420725D+01
      5   0.844887D+01  0.904795D+01  0.306084D+01  0.391663D+01  0.703155D+01
      6   0.145109D+02  0.110842D+02  0.185397D+00  0.910390D+01  0.463135D+01
                91            92            93            94            95 
      1   0.204092D+01 -0.336138D+01 -0.779331D+00 -0.257384D+01 -0.111150D+02
      2   0.286322D+01 -0.185781D+00  0.209378D+00 -0.259728D+01  0.250715D+02
      3  -0.490414D+01  0.354716D+01  0.569953D+00  0.517112D+01 -0.139565D+02
      4  -0.727293D+01  0.106170D+02  0.134732D+01  0.124532D+02 -0.304811D+02
      5  -0.202383D+01  0.122894D+01  0.537214D+01  0.101874D+01 -0.504395D+01
      6   0.173591D+01 -0.127970D+01  0.415836D-01 -0.137519D+01  0.727645D+01
                96            97            98            99           100 
      1  -0.234358D+01 -0.502839D+00 -0.232061D+01 -0.239284D+01  0.472031D+01
      2   0.423396D+01 -0.153591D-01  0.297802D+01  0.235140D+01 -0.350097D+00
      3  -0.189039D+01  0.518198D+00 -0.657404D+00  0.414399D-01 -0.437021D+01
      4  -0.563219D+01  0.138788D+01 -0.571276D+01 -0.483611D+01  0.262009D+01
      5  -0.624939D+01  0.556476D+01 -0.423880D+01 -0.360798D+01 -0.110671D+01
      6   0.594721D+01 -0.123547D+01  0.792155D+01  0.313487D+01 -0.514525D+00
               101           102           103           104           105 
      1   0.329258D+01 -0.205127D+01  0.639657D+01 -0.109554D+02  0.151695D+01
      2  -0.179995D+01 -0.316616D+00 -0.236047D+01  0.238382D+02  0.169977D+01
      3  -0.149263D+01  0.236788D+01 -0.403610D+01 -0.128828D+02 -0.321671D+01
      4   0.239815D+01  0.647701D+00  0.845797D+01  0.330000D+02 -0.109590D+01
      5  -0.305846D+00 -0.151440D+01 -0.410829D+01 -0.143112D+00  0.685968D+01
      6   0.370126D+00 -0.103686D+01 -0.174213D+01 -0.140658D+02  0.514819D+01
               106           107           108           109           110 
      1   0.191313D+01  0.116371D+01 -0.449780D+01 -0.159491D+01 -0.165544D+01
      2  -0.132569D+01  0.188515D+01  0.215341D+01 -0.277490D+01  0.229002D+00
      3  -0.587437D+00 -0.304886D+01  0.234440D+01  0.436981D+01  0.142644D+01
      4   0.235081D+01  0.453944D+01  0.243875D+01 -0.178379D+01 -0.163767D+01
      5  -0.846622D+00  0.274134D+01  0.297817D+00 -0.591885D+00  0.924201D+00
      6  -0.462309D-01  0.350850D+01  0.405338D+00  0.850051D+00  0.256627D+01
               111           112           113           114           115 
      1  -0.121550D+02 -0.337606D+01 -0.510319D+01 -0.363975D+01 -0.940539D+01
      2  -0.230207D+01  0.207576D+01  0.140771D+01 -0.236810D+01  0.278579D+01
      3   0.144571D+02  0.130029D+01  0.369548D+01  0.600785D+01  0.661960D+01
      4  -0.628422D+00  0.379547D+00 -0.199279D+00 -0.361930D+01 -0.155351D+01
      5  -0.370729D+01  0.264045D+01 -0.238341D+01 -0.580351D+01  0.577729D+01
      6   0.539289D-02  0.904771D+00  0.160178D+01  0.730274D+01 -0.714501D-01
               116           117           118           119           120 
      1  -0.155019D+01 -0.297311D+02  0.810711D+02 -0.571477D+01 -0.831413D+01
      2  -0.147350D+01 -0.164646D+02 -0.451629D+02  0.330234D+01  0.795810D+01
      3   0.302369D+01  0.461957D+02 -0.359082D+02  0.241243D+01  0.356023D+00
      4  -0.471557D+01 -0.318354D+01 -0.151348D+01  0.106060D+02 -0.756182D-01
      5  -0.104982D+01 -0.326981D+02 -0.312473D+02  0.151366D+01  0.151002D+02
      6   0.625753D+01 -0.252626D-01  0.212000D+01 -0.350349D+01  0.360100D+00
               121           122           123           124           125 
      1  -0.127773D+02  0.644827D+01  0.765862D+00 -0.114390D+00  0.154852D+00
      2   0.710646D+01 -0.134936D+01 -0.201609D+01  0.261234D+01 -0.485485D+00
      3   0.567085D+01 -0.509891D+01  0.125023D+01 -0.249795D+01  0.330633D+00
      4   0.104376D+02 -0.184320D+01 -0.778600D+00  0.948194D+00  0.554420D+00
      5   0.607046D+01 -0.218399D+01 -0.510844D+01  0.109118D+02 -0.172761D+01
      6  -0.316648D+01  0.641816D+00  0.107374D+01  0.153741D+00  0.691202D+00
               126           127           128           129           130 
      1   0.429091D+01 -0.542449D+01  0.900459D+01  0.935066D+00  0.753450D+01
      2  -0.537494D+01  0.712357D+01 -0.113889D+02 -0.707535D+00 -0.962159D+01
      3   0.108402D+01 -0.169908D+01  0.238433D+01 -0.227531D+00  0.208709D+01
      4  -0.171170D+01 -0.358740D+01  0.704533D+01  0.598394D+00  0.532276D+01
      5  -0.515184D+01 -0.353892D+00  0.619310D+00  0.112990D+01  0.489686D+00
      6   0.555966D+00  0.957494D+00 -0.123432D+01 -0.186533D+01 -0.115016D+01
               131           132           133           134           135 
      1  -0.340106D+02 -0.300687D+01  0.832034D+00 -0.288416D+01 -0.147147D+01
      2   0.467290D+02  0.286605D+01 -0.112647D+01  0.380891D+01  0.192985D+01
      3  -0.127184D+02  0.140824D+00  0.294434D+00 -0.924756D+00 -0.458381D+00
      4   0.138382D+01  0.257346D+00  0.456815D+00  0.209171D+00 -0.140502D+01
      5   0.337926D+00  0.253095D-01  0.755086D+00 -0.770532D+00 -0.148201D+00
      6   0.512436D+01  0.689090D+01 -0.355496D+00  0.229677D+01  0.752640D+00
               136           137           138           139           140 
      1   0.221784D+02  0.138365D+02  0.128426D+01  0.938309D+01  0.365566D+01
      2  -0.422115D+01  0.942963D+00 -0.508418D+00  0.634699D+01  0.166630D+02
      3  -0.179572D+02 -0.147794D+02 -0.775839D+00 -0.157301D+02 -0.203186D+02
      4   0.330601D+02  0.300298D+02  0.218425D+01  0.337140D+02  0.439925D+02
      5   0.343018D+01  0.249307D+01  0.601178D+01  0.332526D+01  0.385723D+01
      6   0.143252D+01  0.127191D+01  0.322735D+01  0.213480D+01  0.296222D+01
               141           142           143           144           145 
      1   0.354516D+00  0.710522D+00  0.165988D+00 -0.241442D+00  0.966712D+02
      2   0.392616D+00  0.434572D+00  0.124171D+01  0.954603D+00 -0.542829D+02
      3  -0.747133D+00 -0.114509D+01 -0.140770D+01 -0.713161D+00 -0.423884D+02
      4   0.340704D+01  0.305882D+01  0.363767D+01  0.214346D+01 -0.159560D+02
      5   0.544407D+01  0.162291D+01  0.169201D+01  0.697925D+00 -0.180142D+01
      6   0.565053D+01  0.135197D+01  0.222774D+01  0.861962D+00 -0.109676D+01
               146           147           148           149           150 
      1  -0.981493D+01 -0.158516D+01 -0.936744D+01  0.994352D+01  0.785450D+00
      2   0.478277D+01  0.106910D+01  0.401235D+01 -0.452855D+01 -0.641458D+00
      3   0.503216D+01  0.516063D+00  0.535509D+01 -0.541498D+01 -0.143993D+00
      4   0.101985D+02  0.731678D-01  0.163790D+02 -0.525613D+01 -0.448978D+00
      5  -0.115525D-01  0.104186D+02  0.145236D+01 -0.373459D+00 -0.135320D+01
      6   0.353514D-01 -0.955277D+00 -0.147835D+00 -0.123163D+00  0.160190D+01
               151           152           153           154           155 
      1  -0.141447D+01  0.793239D+00  0.254540D+01  0.488734D+01 -0.423724D+01
      2   0.756165D+00 -0.450166D+00 -0.167386D+01  0.383618D+01 -0.585946D+01
      3   0.658306D+00 -0.343072D+00 -0.871541D+00 -0.872352D+01  0.100967D+02
      4   0.152170D+01 -0.554920D+00 -0.566424D+00 -0.179138D+02  0.228704D+02
      5   0.206592D+01 -0.378328D+00 -0.256361D+00 -0.176826D+01  0.189339D+01
      6  -0.205457D+00  0.736359D+00  0.153303D+00  0.130213D+01 -0.144704D+01
               156           157           158           159           160 
      1  -0.486147D+00  0.938197D+00 -0.168296D+02 -0.161710D+01  0.444784D-01
      2  -0.153547D+00 -0.119381D+02  0.403946D+02  0.262823D+01 -0.107323D+01
      3   0.639694D+00  0.109999D+02 -0.235650D+02 -0.101113D+01  0.102875D+01
      4   0.209078D+01  0.240318D+02 -0.476016D+02 -0.442688D+01  0.251893D+01
      5   0.365569D+01  0.225566D+01 -0.406521D+01 -0.497067D+01  0.109366D+01
      6  -0.229326D+01 -0.227103D+01  0.559733D+01  0.750578D+01 -0.116775D+01
               161           162           163           164           165 
      1  -0.157453D+01 -0.156396D+01 -0.472191D+01 -0.675333D+01 -0.732281D+00
      2   0.362242D+01  0.217427D+01  0.641351D+01  0.960003D+01  0.561480D+00
      3  -0.204789D+01 -0.610307D+00 -0.169160D+01 -0.284671D+01  0.170802D+00
      4  -0.508182D+01 -0.183998D+01  0.854607D+01  0.835747D+01  0.492810D+00
      5  -0.110304D+01 -0.828077D+00  0.417017D+00  0.290262D+00  0.205989D+01
      6   0.290815D+01  0.134289D+01  0.727653D+00  0.125464D+01  0.219187D+01
               166           167           168           169           170 
      1  -0.793212D+01 -0.201939D+02 -0.201442D+01 -0.458129D+00 -0.167111D+01
      2   0.110449D+02  0.272717D+02  0.165901D+01  0.997581D+00  0.221444D+01
      3  -0.311274D+01 -0.707783D+01  0.355403D+00 -0.539452D+00 -0.543330D+00
      4   0.852666D+01  0.839728D+01  0.518324D+00  0.668408D+00  0.810828D+00
      5   0.331388D+00  0.559318D+00  0.150373D+01  0.776159D+00  0.656643D+00
      6   0.129482D+01  0.263234D+01  0.492025D+01  0.282458D+00  0.141618D+01
               171           172           173           174           175 
      1  -0.142860D+00  0.706896D+02 -0.267652D+01  0.115740D+02 -0.451787D+01
      2   0.896864D+00 -0.397494D+02  0.983890D+00 -0.910911D+01  0.856418D+00
      3  -0.754004D+00 -0.309402D+02  0.169263D+01 -0.246492D+01  0.366145D+01
      4   0.188972D+01 -0.472683D+01  0.752800D+01  0.105596D+00  0.873017D+01
      5   0.320781D+00  0.348572D+02 -0.994455D-01  0.149360D+02  0.769597D-01
      6   0.476764D+00 -0.142845D+01  0.245869D+01  0.277607D+00  0.169688D+01
               176           177           178           179           180 
      1   0.373427D+01  0.190670D+01  0.359250D+01  0.232066D+01  0.278422D+01
      2  -0.168768D+01 -0.116399D+01 -0.391386D+01 -0.457780D+00 -0.319366D+01
      3  -0.204659D+01 -0.742708D+00  0.321364D+00 -0.186288D+01  0.409438D+00
      4  -0.134451D+01  0.271871D+01  0.207471D+01  0.120658D+01 -0.912792D+00
      5   0.336805D+01 -0.771577D+00  0.870883D+01  0.276129D-01  0.453317D+01
      6  -0.114938D+00  0.199296D+01  0.734044D+00  0.156616D+01 -0.357410D+00
 Leave Link  716 at Fri Aug 13 11:09:53 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.131563D+03  0.629342D+00 -0.744588D+00
      2   0.629342D+00  0.105829D+03  0.263159D+01
      3  -0.744588D+00  0.263159D+01  0.762598D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.932768D+00 -0.255963D+01 -0.564994D+00
      2   0.279970D+01 -0.683189D+01  0.175691D+02
      3  -0.415378D+01  0.357841D+02  0.617548D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.650336D+02 -0.217952D+00  0.591513D+01
      2   0.135286D+02  0.412110D+01  0.532514D+01
      3   0.515050D+02 -0.390315D+01 -0.112403D+02
      4   0.789412D+01 -0.744070D+02 -0.165038D+02
      5  -0.913535D+01 -0.161910D+02  0.491812D+02
      6  -0.588672D+01 -0.699841D+01  0.376828D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.335176D+01 -0.571581D+00 -0.175035D+00  0.495483D+01 -0.271943D+00
      2  -0.571581D+00 -0.179267D+01 -0.254278D-01 -0.271943D+00  0.142679D+01
      3  -0.175035D+00 -0.254278D-01 -0.910801D+00  0.174977D+00 -0.451884D+00
                 6             7             8             9            10 
      1   0.174977D+00  0.670401D+00  0.243517D+00 -0.197940D+01 -0.279926D+01
      2  -0.451884D+00  0.243517D+00 -0.815931D+00  0.409990D+01 -0.719271D+00
      3   0.187049D+01 -0.197940D+01  0.409990D+01  0.117109D+01  0.981962D-01
                11            12            13            14            15 
      1  -0.719271D+00  0.981962D-01  0.774989D+01  0.305541D+00 -0.159233D+00
      2   0.335651D+01  0.214965D+00  0.305541D+00  0.101158D+01 -0.321691D+00
      3   0.214965D+00  0.144645D+01 -0.159233D+00 -0.321691D+00  0.139445D+01
                16            17            18            19            20 
      1   0.777040D+00 -0.542534D-01  0.185053D+01  0.155123D+02 -0.124106D+01
      2  -0.542534D-01 -0.380631D+00  0.322323D+01 -0.124106D+01  0.262903D+01
      3   0.185053D+01  0.322323D+01  0.769302D+00 -0.253360D-01  0.204678D+00
                21            22            23            24            25 
      1  -0.253360D-01 -0.282444D+01 -0.163695D+01 -0.822043D+00 -0.451810D+00
      2   0.204678D+00 -0.163695D+01 -0.776427D+00 -0.124038D+00 -0.644581D+00
      3   0.162180D+01 -0.822043D+00 -0.124038D+00  0.202544D+00  0.424897D+01
                26            27            28            29            30 
      1  -0.644581D+00  0.424897D+01 -0.430851D+01  0.238185D+01  0.192684D+00
      2  -0.254861D+00 -0.171305D+00  0.238185D+01  0.240049D+01  0.816654D-01
      3  -0.171305D+00  0.468313D-01  0.192684D+00  0.816654D-01  0.975732D+00
                31            32            33            34            35 
      1  -0.615832D+01  0.177251D+00  0.543871D-02 -0.706040D+00 -0.157991D+00
      2   0.177251D+00 -0.155294D+01  0.327953D+00 -0.157991D+00  0.711442D+00
      3   0.543871D-02  0.327953D+00 -0.187457D+01  0.115734D+01 -0.417489D+01
                36            37            38            39            40 
      1   0.115734D+01  0.164669D+01 -0.578201D+00 -0.751454D-02 -0.530351D+01
      2  -0.417489D+01 -0.578201D+00 -0.329784D+01 -0.297981D+00  0.757282D+00
      3  -0.124067D+01 -0.751454D-02 -0.297981D+00 -0.130070D+01  0.321490D+00
                41            42            43            44            45 
      1   0.757282D+00  0.321490D+00 -0.699189D+00  0.327894D+00 -0.308008D+01
      2  -0.365098D+00  0.503594D+00  0.327894D+00  0.558687D+00 -0.337486D+01
      3   0.503594D+00 -0.155916D+01 -0.308008D+01 -0.337486D+01 -0.791905D+00
                46            47            48            49            50 
      1  -0.541308D+01  0.155382D+00  0.178681D-01  0.721294D+00  0.851207D+00
      2   0.155382D+00 -0.323832D+01 -0.128488D+00  0.851207D+00 -0.395411D+00
      3   0.178681D-01 -0.128488D+00 -0.222815D+01  0.745654D+00 -0.211436D+00
                51            52            53            54            55 
      1   0.745654D+00  0.351567D-02  0.648025D+00 -0.547396D+01 -0.195983D+01
      2  -0.211436D+00  0.648025D+00 -0.238812D-01  0.601586D+00 -0.595810D+00
      3   0.334800D+00 -0.547396D+01  0.601586D+00  0.275968D+00  0.343456D+00
                56            57            58            59            60 
      1  -0.595810D+00  0.343456D+00 -0.186675D+01 -0.139309D+01  0.145913D+01
      2  -0.627249D+00  0.985937D+00 -0.139309D+01  0.579739D+01  0.248017D+01
      3   0.985937D+00 -0.323269D+01  0.145913D+01  0.248017D+01 -0.211251D+01
                61            62            63            64            65 
      1  -0.612637D+00  0.966664D+00 -0.553852D+01 -0.798596D+01  0.704856D-02
      2   0.966664D+00  0.222977D+01 -0.762569D+00  0.704856D-02  0.694140D+00
      3  -0.553852D+01 -0.762569D+00  0.448907D+00 -0.370662D+00 -0.347272D+00
                66            67            68            69            70 
      1  -0.370662D+00 -0.154772D-01  0.101503D+01 -0.902059D+00  0.307697D+01
      2  -0.347272D+00  0.101503D+01 -0.388935D+01 -0.111886D+01 -0.667766D+00
      3   0.915454D+00 -0.902059D+00 -0.111886D+01 -0.839739D+00  0.322530D+01
                71            72            73            74            75 
      1  -0.667766D+00  0.322530D+01 -0.865587D+01  0.187198D+01  0.255817D+00
      2  -0.167424D+01 -0.108523D+01  0.187198D+01  0.860015D+00 -0.686609D+00
      3  -0.108523D+01  0.409135D+01  0.255817D+00 -0.686609D+00  0.422597D+01
                76            77            78            79            80 
      1   0.428589D+01  0.875782D+00 -0.125968D+01 -0.215209D+01 -0.102461D+01
      2   0.875782D+00 -0.473690D+01 -0.160631D+01 -0.102461D+01 -0.151154D+01
      3  -0.125968D+01 -0.160631D+01  0.310513D+01  0.399841D+01  0.187660D+01
                81            82            83            84            85 
      1   0.399841D+01 -0.555050D+00  0.588054D+00  0.629257D-01  0.195310D+01
      2   0.187660D+01  0.588054D+00 -0.842079D+00 -0.233970D+00 -0.228954D-01
      3   0.346737D+01  0.629257D-01 -0.233970D+00 -0.811577D+00  0.429563D+00
                86            87            88            89            90 
      1  -0.228954D-01  0.429563D+00  0.601839D+00  0.166158D+00  0.184688D+00
      2   0.399290D+01  0.236702D+01  0.166158D+00  0.211162D+01  0.109045D+01
      3   0.236702D+01  0.219734D+01  0.184688D+00  0.109045D+01  0.206730D+01
                91            92            93            94            95 
      1   0.384398D-01 -0.122455D+01 -0.391028D+00 -0.242847D+01  0.175505D+01
      2  -0.122455D+01  0.114429D+01  0.121494D+00  0.175505D+01 -0.693038D+01
      3  -0.391028D+00  0.121494D+00  0.799485D+00  0.482240D-01 -0.125247D+01
                96            97            98            99           100 
      1   0.482240D-01 -0.473590D+00  0.145791D+00  0.891473D+00  0.703279D+00
      2  -0.125247D+01  0.145791D+00 -0.129102D+01 -0.114439D+01  0.601111D+00
      3  -0.147404D+01  0.891473D+00 -0.114439D+01 -0.844276D+00  0.931981D-01
               101           102           103           104           105 
      1   0.601111D+00  0.931981D-01  0.186497D+01  0.717587D+00 -0.322972D+00
      2  -0.119215D+00  0.159026D+00  0.717587D+00  0.658616D+01 -0.251341D+00
      3   0.159026D+00 -0.578489D+00 -0.322972D+00 -0.251341D+00  0.139945D+01
               106           107           108           109           110 
      1   0.664609D+00  0.245210D+00 -0.348545D+00 -0.170000D+00 -0.341492D+00
      2   0.245210D+00  0.788063D+00  0.618084D+00 -0.341492D+00 -0.469142D+00
      3  -0.348545D+00  0.618084D+00 -0.197561D+00 -0.973308D+00  0.195310D-01
               111           112           113           114           115 
      1  -0.973308D+00 -0.823222D+00 -0.148350D+00  0.155571D+00 -0.152897D+01
      2   0.195310D-01 -0.148350D+00 -0.939876D-01 -0.957420D+00 -0.113463D+00
      3  -0.266936D+01  0.155571D+00 -0.957420D+00 -0.152385D+01 -0.513234D+00
               116           117           118           119           120 
      1  -0.113463D+00 -0.513234D+00  0.125423D+02 -0.694875D+00 -0.194657D+01
      2  -0.108330D+01 -0.334723D+00 -0.694875D+00  0.107935D+01 -0.106558D-01
      3  -0.334723D+00 -0.924776D+01 -0.194657D+01 -0.106558D-01  0.142709D+01
               121           122           123           124           125 
      1  -0.224807D+01  0.113784D+01  0.539923D+00 -0.175661D+00  0.195582D+00
      2   0.113784D+01 -0.111760D+00 -0.590202D-01  0.195582D+00  0.201078D+00
      3   0.539923D+00 -0.590202D-01 -0.844215D+00  0.947575D+00 -0.271137D+00
               126           127           128           129           130 
      1   0.947575D+00  0.154898D+01 -0.177301D+01 -0.162270D+00 -0.158583D+01
      2  -0.271137D+00 -0.177301D+01  0.225105D+01  0.203228D+00  0.201471D+01
      3  -0.747750D+00 -0.162270D+00  0.203228D+00  0.206899D+00  0.201851D+00
               131           132           133           134           135 
      1   0.201471D+01  0.201851D+00 -0.819362D-01  0.218091D+00 -0.498685D-01
      2  -0.884956D+01 -0.700879D+00  0.218091D+00 -0.764696D+00 -0.140548D+00
      3  -0.700879D+00 -0.956358D+00 -0.498685D-01 -0.140548D+00 -0.171876D-01
               136           137           138           139           140 
      1  -0.492342D+01 -0.381874D+01 -0.352333D+00 -0.375010D+01 -0.442298D+01
      2  -0.381874D+01 -0.349824D+01 -0.267428D+00 -0.442298D+01 -0.658404D+01
      3  -0.352333D+00 -0.267428D+00 -0.618565D+00 -0.402873D+00 -0.526741D+00
               141           142           143           144           145 
      1  -0.402873D+00 -0.292151D+00 -0.395494D+00 -0.933260D-01 -0.128129D+02
      2  -0.526741D+00 -0.395494D+00 -0.614490D+00 -0.100257D+00  0.145020D+01
      3  -0.832748D+00 -0.933260D-01 -0.100257D+00 -0.632150D-01  0.235608D+00
               146           147           148           149           150 
      1   0.145020D+01  0.235608D+00  0.149375D+01 -0.173287D+01 -0.181991D+00
      2  -0.947466D+00 -0.708623D-02 -0.173287D+01  0.540970D+00  0.510368D-01
      3  -0.708623D-02 -0.978728D+00 -0.181991D+00  0.510368D-01  0.156880D+00
               151           152           153           154           155 
      1   0.179324D+00 -0.195176D+00  0.352167D-01 -0.215770D+01  0.254645D+01
      2  -0.195176D+00  0.599615D-01  0.294626D-01  0.254645D+01 -0.277620D+01
      3   0.352167D-01  0.294626D-01  0.824289D-02  0.274928D+00 -0.266027D+00
               156           157           158           159           160 
      1   0.274928D+00  0.227003D+01 -0.373777D+01 -0.397260D+00  0.265195D+00
      2  -0.266027D+00 -0.373777D+01  0.956266D+01  0.912969D+00 -0.409217D+00
      3  -0.370408D+00 -0.397260D+00  0.912969D+00  0.100333D+01 -0.447596D-01
               161           162           163           164           165 
      1  -0.409217D+00 -0.447596D-01  0.336726D+01  0.229312D+01  0.131840D+00
      2   0.996639D+00  0.154659D+00  0.229312D+01  0.237044D+01  0.164735D+00
      3   0.154659D+00  0.104484D+00  0.131840D+00  0.164735D+00  0.399633D+00
               166           167           168           169           170 
      1   0.265916D+01  0.286006D+01  0.230120D+00  0.858926D-01  0.212062D+00
      2   0.286006D+01  0.564938D+01  0.453337D+00  0.212062D+00  0.528411D+00
      3   0.230120D+00  0.453337D+00  0.793400D+00 -0.106612D+00  0.324417D-01
               171           172           173           174           175 
      1  -0.106612D+00  0.130306D+02 -0.336590D+00  0.269754D+01 -0.948705D+00
      2   0.324417D-01 -0.336590D+00  0.823102D+00  0.115686D+00  0.899525D+00
      3   0.329624D-01  0.269754D+01  0.115686D+00  0.168094D+01  0.136170D+00
               176           177           178           179           180 
      1   0.899525D+00  0.136170D+00  0.849282D+00  0.293554D+00  0.688787D+00
      2  -0.281969D+00  0.486023D+00  0.293554D+00  0.228925D+00 -0.166503D+00
      3   0.486023D+00 -0.440630D+00  0.688787D+00 -0.166503D+00  0.666514D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.216418D+00 -0.533215D-01  0.162735D+01 -0.559601D+00  0.126548D+00
      2   0.401091D+00  0.128120D+01  0.785718D+00  0.583224D+00  0.136188D+01
      3  -0.344133D+01 -0.137469D+02 -0.136719D+01  0.341787D+01  0.235626D+00
                 6             7             8             9            10 
      1  -0.247258D+01  0.521606D+01  0.123401D+00 -0.237207D+00 -0.624935D+00
      2  -0.419591D+01 -0.842975D+01 -0.949443D+01 -0.179268D+01 -0.329217D+00
      3  -0.878656D+00  0.477065D+00 -0.151796D+01  0.479400D+01  0.186379D-01
                11            12            13            14            15 
      1   0.766957D-01 -0.208333D+01  0.478942D+00 -0.213071D+00 -0.190013D+01
      2   0.480412D-01 -0.103859D+01  0.113942D+01 -0.437649D+00 -0.149584D+01
      3   0.389444D+00  0.320485D+00  0.108400D+01  0.587886D+01 -0.579719D-01
                16            17            18            19            20 
      1  -0.717352D+01  0.363709D+01 -0.146235D+00  0.367432D+00  0.491651D-01
      2  -0.129557D+02 -0.492251D+00 -0.600414D+00  0.533458D+00 -0.509169D+00
      3  -0.180778D+01 -0.704644D-01  0.662898D+01 -0.330152D+01  0.627409D+01
                21            22            23            24            25 
      1  -0.301648D+00  0.444937D+00 -0.105017D+01  0.110044D+01  0.114851D+01
      2  -0.236039D+01 -0.679794D+00 -0.589308D+00  0.110572D+01 -0.145603D+02
      3   0.541259D+00  0.154835D+02 -0.661278D+00  0.810397D+00  0.737586D+00
                26            27            28            29            30 
      1   0.971631D+01  0.132749D+01 -0.207906D+00 -0.129300D+00  0.129858D+01
      2   0.756800D-01 -0.309576D+00 -0.958344D+00  0.339487D+00 -0.289572D+00
      3   0.103852D+01 -0.220585D+01  0.697123D+01 -0.518095D+01 -0.566614D+00
                31            32            33            34            35 
      1  -0.842148D+00  0.896953D-01 -0.220051D+01  0.435162D+01  0.617578D+00
      2   0.137412D+01  0.689450D+00  0.167536D+01 -0.139978D+02  0.203983D+01
      3   0.447868D+01 -0.633503D+01 -0.138787D+00 -0.155927D+01 -0.490282D+00
                36            37            38            39            40 
      1  -0.587527D+00  0.268618D-01  0.406806D-01 -0.174763D+01  0.791857D+00
      2   0.125991D+01  0.223812D+00  0.843959D+00  0.206248D+01 -0.371685D+00
      3  -0.532168D+01 -0.451928D+01 -0.950805D+01 -0.706748D+00  0.689381D+01
                41            42            43            44            45 
      1  -0.735950D-01 -0.137617D+01 -0.679522D+01  0.390519D+01  0.456866D+00
      2  -0.161868D+01  0.459839D+01 -0.307775D+01  0.106025D+02  0.217260D+01
      3  -0.816296D+00  0.858617D+00  0.985903D+00  0.144965D+01 -0.514143D+01
                46            47            48            49            50 
      1   0.226267D-01  0.462681D-01  0.635719D+00 -0.926065D-01 -0.159269D+01
      2  -0.295906D+00 -0.248782D-01  0.604007D+01 -0.222702D+01  0.166319D+00
      3   0.287609D+01 -0.617691D+01 -0.188885D-01  0.124690D+02  0.227364D+01
                51            52            53            54            55 
      1   0.131676D+01  0.209917D+01  0.115937D+02  0.123723D+01 -0.853478D-01
      2  -0.119044D+01  0.797691D+01 -0.269068D+01 -0.821758D+00  0.646060D+00
      3  -0.250351D+00  0.156766D+01 -0.251693D+00  0.171309D+01  0.448971D+01
                56            57            58            59            60 
      1  -0.614937D+00  0.515463D+00  0.427366D+00 -0.416583D+00 -0.524612D+01
      2   0.117952D+01 -0.217829D+01  0.117257D+01  0.513262D+01 -0.412896D+01
      3   0.141291D+01 -0.159253D+01  0.971233D+01 -0.127573D+02 -0.718190D+01
                61            62            63            64            65 
      1  -0.182415D+01 -0.562474D+00  0.615913D+00 -0.139138D+01  0.292015D+01
      2  -0.132206D+02 -0.763189D-01 -0.189392D+01  0.152619D+02 -0.187076D+00
      3  -0.117535D-01 -0.573557D+01  0.468244D+01  0.289039D+01 -0.641730D+01
                66            67            68            69            70 
      1  -0.134210D+01  0.291735D+00 -0.916779D+01 -0.776547D+01  0.860254D+00
      2   0.829204D+01  0.949282D+00 -0.512692D+01 -0.103756D+01  0.183253D+01
      3   0.281725D+00 -0.355998D-01  0.108357D+02  0.519183D+01 -0.160849D+01
                71            72            73            74            75 
      1   0.141717D+01  0.215382D+01 -0.285828D+01 -0.189569D+01 -0.118919D+01
      2  -0.258973D+01  0.736416D+01 -0.103569D+02  0.649821D+00  0.137620D+02
      3   0.504226D+01  0.121551D+01 -0.112858D+02 -0.538147D+01  0.297302D+01
                76            77            78            79            80 
      1  -0.269054D-02  0.785738D+01 -0.134172D+01  0.596720D-01  0.353971D+01
      2   0.403610D+00 -0.282588D+01  0.597114D+01  0.607662D+01  0.331911D+01
      3  -0.518301D+00  0.160371D+02  0.423252D+01  0.350612D+01  0.389089D+01
                81            82            83            84            85 
      1  -0.809200D+01  0.220815D+01 -0.229714D+01  0.459386D+00 -0.111586D+01
      2   0.174431D+02  0.246770D+01 -0.152156D+01 -0.116695D+01 -0.263699D+01
      3  -0.455991D+01 -0.333224D+01  0.299459D+01  0.221873D+00  0.341165D+01
                86            87            88            89            90 
      1   0.988423D+01  0.290806D+01  0.189890D+00  0.496672D+01  0.169677D+01
      2   0.655026D+01  0.502898D+01 -0.765430D+00  0.233428D+01  0.400362D+01
      3  -0.102319D+02 -0.628645D+01 -0.649239D+00 -0.526005D+01 -0.275555D+01
                91            92            93            94            95 
      1   0.371604D+00 -0.310527D+00  0.801069D+00  0.753190D-01  0.133644D+01
      2  -0.934397D+00  0.164944D+00  0.202383D+01 -0.461433D+00 -0.252362D+01
      3   0.347628D+01 -0.253729D+01 -0.126360D+00  0.246583D+01  0.139165D+02
                96            97            98            99           100 
      1  -0.262911D+01  0.694109D+00  0.126422D+01 -0.488529D+00 -0.123218D+01
      2  -0.297204D+01 -0.183665D+00 -0.180910D+01 -0.119596D+01  0.423594D+00
      3   0.277734D+01  0.450902D+00  0.293888D+01  0.162560D+01 -0.266768D+01
               101           102           103           104           105 
      1   0.354059D+00  0.509508D+00  0.152724D+00 -0.100051D+02 -0.324251D+01
      2   0.774677D+00 -0.700652D+00  0.112895D+01  0.174877D+00  0.310497D+01
      3   0.917900D+00  0.984601D-01  0.326258D+01 -0.188678D+02 -0.373009D+00
               106           107           108           109           110 
      1   0.140767D+00 -0.216945D+00 -0.104292D+01  0.963182D+00  0.170855D+01
      2  -0.132600D+01  0.134782D+01 -0.601868D+00 -0.427309D+01 -0.567445D+00
      3   0.839880D+00 -0.277483D+01 -0.207006D+01  0.945183D+00  0.827867D+00
               111           112           113           114           115 
      1   0.123996D+01  0.903979D+00  0.512031D+00  0.111368D+01  0.762542D+00
      2  -0.735970D+01 -0.126311D+01 -0.231330D+01 -0.373657D+01 -0.675003D+01
      3  -0.476820D+00  0.154916D+01  0.547689D-01  0.196378D+01 -0.513909D+00
               116           117           118           119           120 
      1   0.430400D+01  0.455206D+01  0.153084D+01 -0.210420D+01 -0.260630D+00
      2  -0.131145D+01 -0.236970D+02  0.990913D+01 -0.114035D+01  0.493528D+01
      3   0.215383D+01  0.349730D+00  0.661833D+01 -0.686065D+01 -0.521573D+00
               121           122           123           124           125 
      1  -0.151706D+01  0.124470D+00 -0.693564D+00 -0.237827D+00  0.421310D+00
      2  -0.120026D+01  0.107133D+01 -0.213040D+01  0.520836D+00 -0.646239D+00
      3  -0.285209D+01  0.249057D+00  0.792301D-03 -0.100644D+01 -0.120931D+00
               126           127           128           129           130 
      1   0.563157D+00  0.281113D-01 -0.173971D+00  0.151755D+01  0.469062D-01
      2  -0.120625D+01  0.670500D+00 -0.412733D+00  0.174361D+00 -0.582723D+00
      3   0.114312D+01 -0.599313D+01  0.388686D+01  0.364208D+00  0.713833D+01
               131           132           133           134           135 
      1   0.362700D+00 -0.419016D+01 -0.530116D+00  0.200095D+01 -0.152579D+00
      2   0.985819D+00 -0.344323D+00 -0.121851D+01  0.194088D-01 -0.690159D-01
      3  -0.910563D+01 -0.961308D+00  0.660967D+00 -0.636516D+00  0.234699D+00
               136           137           138           139           140 
      1   0.658761D-01  0.263915D+00 -0.231635D+01 -0.769975D-01  0.248174D+00
      2   0.579442D-01  0.110665D+00  0.300704D+01  0.400335D+00  0.786710D+00
      3  -0.149612D+01 -0.470061D+01 -0.164985D+00 -0.356646D+01 -0.110788D+02
               141           142           143           144           145 
      1  -0.324095D+01  0.922608D+00  0.142316D+01 -0.166978D+00 -0.298419D-01
      2   0.340204D+01 -0.887475D+00 -0.711995D+00  0.133630D+00 -0.262389D+00
      3  -0.694511D+00 -0.326910D+00 -0.107265D+01 -0.513294D-01  0.885627D+00
               146           147           148           149           150 
      1  -0.871585D-01  0.706059D+00  0.309301D-01 -0.697468D-02 -0.414105D+00
      2  -0.775562D-01  0.622288D+01  0.700442D+00 -0.121794D+00 -0.906866D+00
      3  -0.534187D+01  0.102870D+00 -0.398206D+01  0.174519D+01  0.117128D+00
               151           152           153           154           155 
      1  -0.416098D+00  0.436797D+00 -0.166671D-02 -0.678766D-01 -0.110799D+00
      2  -0.276094D+01  0.218159D+00 -0.585759D-01 -0.109743D+00  0.129276D+00
      3  -0.837069D+00  0.233491D+00 -0.388980D-01  0.748181D+00 -0.244964D+01
               156           157           158           159           160 
      1   0.158375D+01  0.122541D+00  0.179772D+00 -0.444271D+01 -0.695645D+00
      2   0.145220D+01  0.199504D+00 -0.120573D+01 -0.292127D+01 -0.491318D+00
      3  -0.912453D-01 -0.118956D+01  0.139327D+02  0.116453D+01 -0.138486D+00
               161           162           163           164           165 
      1   0.182401D+01 -0.335365D+00  0.159166D+00  0.434516D+00 -0.237282D+01
      2   0.506307D+00 -0.283170D+00 -0.112486D+01 -0.329345D+00  0.830144D+00
      3   0.159690D+01  0.144060D+00  0.965980D+01  0.361679D+01  0.980103D-01
               166           167           168           169           170 
      1   0.168778D+00  0.837813D-01 -0.310193D+01  0.359054D+00  0.192208D+01
      2  -0.564270D+00 -0.578751D+00  0.132062D+01 -0.151529D+01 -0.159730D+00
      3   0.763657D+01  0.528856D+01  0.446991D+00  0.502022D-01  0.484384D+00
               171           172           173           174           175 
      1  -0.273311D-01  0.537481D+00  0.188305D+01  0.719303D+00  0.642510D+00
      2   0.154212D+00 -0.123219D+02  0.564674D+00  0.363771D+01  0.193582D+01
      3  -0.195205D+00 -0.385590D+01 -0.493636D+01 -0.683909D+00 -0.107562D+01
               176           177           178           179           180 
      1   0.404579D+00 -0.312789D+00  0.118185D+01  0.583622D+00 -0.100253D-01
      2   0.422363D+00 -0.114703D+01 -0.499355D-01 -0.794306D+00  0.368242D+00
      3  -0.280602D+00 -0.111030D+01 -0.816947D+00 -0.897874D+00 -0.191317D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.107055D+02  0.212220D+02  0.205274D+01 -0.206046D+02  0.121045D+02
      2  -0.113196D+02 -0.141818D+02 -0.567709D+00  0.181709D+02 -0.175777D+02
      3   0.614097D+00 -0.704012D+01 -0.148503D+01  0.243368D+01  0.547324D+01
      4   0.172754D+02 -0.584707D+01 -0.892406D+00  0.117709D+02  0.415023D+01
      5   0.142234D+01 -0.463539D+00 -0.988960D-01 -0.238874D+00  0.296695D+01
      6  -0.172923D+01 -0.418001D+00 -0.345681D+01  0.234731D+01 -0.501618D+01
                 6             7             8             9            10 
      1   0.197948D+01 -0.210611D+01  0.130687D+01 -0.595132D+01 -0.196172D+01
      2  -0.303600D+01  0.302022D+01 -0.494826D+01 -0.179601D+01  0.815887D+00
      3   0.105652D+01 -0.914110D+00  0.364139D+01  0.774733D+01  0.114584D+01
      4   0.297518D+01 -0.167785D+00  0.422390D+01 -0.160698D+02 -0.134339D+02
      5  -0.887000D+01  0.127269D+02 -0.165931D+02 -0.435832D+01 -0.611683D+00
      6   0.577898D+01 -0.776468D+01  0.168697D+02  0.167056D+01  0.428867D+00
                11            12            13            14            15 
      1  -0.171370D+02 -0.205388D+01  0.604136D+01  0.398688D+01  0.204159D+01
      2   0.133799D+02  0.838652D-01 -0.162814D+02 -0.756491D+01 -0.158235D+01
      3   0.375714D+01  0.197002D+01  0.102401D+02  0.357803D+01 -0.459236D+00
      4  -0.110518D+02 -0.892762D+00  0.547095D+01 -0.139271D+02 -0.123536D+01
      5  -0.101095D+01 -0.191139D+01  0.714326D+00 -0.119292D+01  0.282383D+00
      6   0.455906D+00  0.510547D+01 -0.385251D+01 -0.260496D+01  0.433211D+01
                16            17            18            19            20 
      1   0.300102D+00  0.192843D+01 -0.151909D+02 -0.198805D+02  0.373864D+01
      2  -0.296325D+01 -0.339405D+01  0.251075D+01  0.513060D+01 -0.330787D+01
      3   0.266314D+01  0.146562D+01  0.126802D+02  0.147499D+02 -0.430767D+00
      4   0.102710D+01 -0.115880D+01 -0.276016D+01  0.196109D+01  0.181721D+01
      5   0.610673D+00 -0.106391D+01  0.306454D+00  0.175672D+01 -0.485070D-01
      6   0.720337D+01  0.120506D+02  0.488929D+00 -0.142890D+01 -0.418716D+00
                21            22            23            24            25 
      1   0.155527D+01 -0.577506D+00 -0.991242D+01 -0.362737D+00  0.787112D+00
      2  -0.329052D+00  0.486508D+01  0.161752D+02  0.335199D+01  0.136237D+01
      3  -0.122621D+01 -0.428757D+01 -0.626277D+01 -0.298926D+01 -0.214948D+01
      4   0.239243D-01 -0.121914D+02  0.122992D+01 -0.765171D+00 -0.218479D+01
      5   0.964911D+00 -0.318142D+01 -0.484553D+00  0.215490D+01  0.852309D+01
      6  -0.147264D+01  0.136119D+01  0.215911D+01 -0.241502D+01 -0.172451D+01
                26            27            28            29            30 
      1  -0.833942D+00 -0.602995D+01  0.123616D+02  0.108522D+02  0.599645D+00
      2   0.214876D+01 -0.521595D+01 -0.961994D+01 -0.824169D+01  0.414375D-01
      3  -0.131482D+01  0.112459D+02 -0.274164D+01 -0.261047D+01 -0.641082D+00
      4  -0.714893D+00  0.122492D+01  0.599078D+01 -0.178419D+02 -0.176528D+01
      5   0.650064D+00 -0.713383D+00 -0.124863D+00 -0.173589D+01 -0.246899D+01
      6   0.355358D+01 -0.198407D+01 -0.500749D+00 -0.339969D+00 -0.304237D+01
                31            32            33            34            35 
      1  -0.385585D+00  0.936168D+01  0.187189D+01 -0.139182D+00  0.154733D+01
      2   0.926592D+01 -0.154737D+02 -0.300081D+01  0.227028D+01 -0.514373D+01
      3  -0.888033D+01  0.611206D+01  0.112892D+01 -0.213110D+01  0.359641D+01
      4   0.967609D+01  0.144306D+02  0.886702D+00 -0.627822D+00  0.735327D+00
      5   0.855417D+00  0.102542D+01  0.114499D+01  0.418399D+01  0.518298D+01
      6   0.223276D+01 -0.396081D+01  0.542551D+01 -0.296979D+01  0.173301D+02
                36            37            38            39            40 
      1  -0.159306D+02 -0.159770D+01 -0.238104D+02 -0.281353D+01  0.273444D+02
      2   0.418621D+01 -0.869528D+00  0.161714D+02  0.725317D+00 -0.259842D+02
      3   0.117444D+02  0.246723D+01  0.763898D+01  0.208821D+01 -0.136017D+01
      4   0.610072D+01 -0.147564D+02  0.364239D+01  0.174331D+00  0.415675D+00
      5   0.183325D+01 -0.104220D+01  0.612898D-01  0.464181D+01 -0.231130D+01
      6   0.286733D+01 -0.342239D+00  0.105210D+01  0.480713D+01 -0.344277D+01
                41            42            43            44            45 
      1   0.600576D+01  0.436455D+00  0.264798D+01  0.928905D+00  0.185743D+01
      2  -0.975812D+01 -0.732542D+00 -0.479276D+01 -0.302433D+01 -0.786865D+01
      3   0.375236D+01  0.296087D+00  0.214477D+01  0.209543D+01  0.601122D+01
      4  -0.111345D+02 -0.396814D+01 -0.117555D+01 -0.428701D+01  0.170795D+02
      5  -0.379787D+01  0.967551D+01  0.196378D+02  0.169645D+02  0.437442D+01
      6  -0.327953D+01  0.337354D+01  0.889981D+01  0.124592D+02  0.600841D-01
                46            47            48            49            50 
      1  -0.109318D+02  0.459306D+01  0.791341D+00 -0.904179D+01 -0.234841D+02
      2   0.805201D+01 -0.332471D+01 -0.328807D+00  0.902728D+01  0.201585D+02
      3   0.287982D+01 -0.126835D+01 -0.462534D+00  0.145093D-01  0.332562D+01
      4   0.232049D+01  0.213304D+02  0.746643D+00 -0.217989D+02  0.355141D+01
      5   0.912480D+00  0.633045D+00  0.139329D+02 -0.561659D+01  0.843432D+00
      6   0.704749D+00 -0.140806D-02 -0.176346D+01  0.133691D+01  0.215435D+01
                51            52            53            54            55 
      1  -0.413884D+01 -0.379309D+00 -0.399956D+01  0.161184D+02  0.123173D+02
      2   0.451288D+01  0.163147D+01  0.313606D+01 -0.187530D+02 -0.468330D+01
      3  -0.374037D+00 -0.125216D+01  0.863498D+00  0.263459D+01 -0.763402D+01
      4   0.133577D+01 -0.638838D+01  0.133905D+01 -0.448201D+01 -0.605527D+01
      5  -0.225101D+01  0.371329D+02 -0.410377D+01 -0.119377D+01  0.189773D+00
      6  -0.286672D+01 -0.285779D+01  0.407167D+01 -0.195295D+01  0.193103D+01
                56            57            58            59            60 
      1  -0.275349D+01  0.139710D+01 -0.790742D+01  0.341593D+01  0.496019D+01
      2   0.286712D+01 -0.275073D+00  0.108993D+02 -0.120510D+02 -0.847577D+01
      3  -0.113626D+00 -0.112202D+01 -0.299186D+01  0.863506D+01  0.351558D+01
      4  -0.753096D+01  0.486289D+01 -0.742435D+01  0.258673D+02  0.119887D+02
      5   0.442822D+01 -0.169435D+02  0.869763D+01  0.113367D+02 -0.110045D+02
      6   0.929301D+00 -0.147817D+01  0.405030D+01 -0.572903D+01 -0.987030D+00
                61            62            63            64            65 
      1   0.331924D+00  0.266903D+01 -0.856766D+01 -0.425439D+02  0.983460D+00
      2   0.303380D+01 -0.464056D+01  0.101794D+02  0.204428D+02 -0.205249D+00
      3  -0.336573D+01  0.197153D+01 -0.161176D+01  0.221011D+02 -0.778211D+00
      4   0.618137D+01  0.103592D+02 -0.509469D+01  0.378014D+01  0.924763D+01
      5  -0.356302D+02 -0.572447D+01  0.411541D+01 -0.189331D+02 -0.291517D+01
      6  -0.296765D+01 -0.843276D+01  0.406264D+01 -0.136597D+01  0.415083D+01
                66            67            68            69            70 
      1  -0.629127D+01 -0.116410D+01  0.517824D+01  0.275780D+01 -0.177395D+01
      2   0.160490D+01  0.122328D+01  0.329077D+01  0.165869D+00 -0.693402D+01
      3   0.468638D+01 -0.591816D-01 -0.846901D+01 -0.292367D+01  0.870797D+01
      4  -0.322207D+01  0.909032D+01 -0.183396D+02 -0.512705D+01 -0.445430D+01
      5   0.825523D+01 -0.625220D+01 -0.271852D+01 -0.474018D+01  0.240511D+02
      6  -0.705367D+00  0.271460D+01 -0.145645D+02 -0.905133D+00 -0.624731D+00
                71            72            73            74            75 
      1   0.122089D+01 -0.697760D+01 -0.526697D+02  0.807427D+01  0.128265D+02
      2   0.134421D+01 -0.162130D+02  0.293968D+02 -0.272272D+01  0.306050D+01
      3  -0.256510D+01  0.231906D+02  0.232730D+02 -0.535155D+01 -0.158870D+02
      4  -0.714054D+01 -0.430068D+01  0.990214D+01  0.710892D+01 -0.328647D+01
      5  -0.399799D+01  0.213127D+02  0.151837D+02 -0.597793D+01  0.177751D+02
      6   0.364571D+01 -0.536263D+01 -0.603460D+01 -0.331027D+01  0.282832D+01
                76            77            78            79            80 
      1   0.148950D+02  0.724969D+01  0.901749D+00  0.283301D+01  0.209658D+01
      2  -0.105407D+02 -0.150567D+02  0.552723D+01  0.549074D+01  0.319785D+00
      3  -0.435436D+01  0.780696D+01 -0.642898D+01 -0.832375D+01 -0.241637D+01
      4   0.641988D+01 -0.231319D+02 -0.850708D+01 -0.657551D+01 -0.768620D+01
      5  -0.117084D+02 -0.103569D+02  0.149839D+02  0.208366D+02  0.954885D+01
      6  -0.347655D+01  0.742978D+01  0.540512D+01  0.380957D+01  0.564758D+01
                81            82            83            84            85 
      1   0.252912D+02 -0.898586D+00  0.315646D+01  0.325328D+01  0.727295D+01
      2  -0.435191D-01  0.125014D+01 -0.146081D+01 -0.219749D+00 -0.473176D+01
      3  -0.252477D+02 -0.351553D+00 -0.169564D+01 -0.303353D+01 -0.254119D+01
      4   0.120785D+02  0.217281D+01 -0.305837D+01  0.468126D-01  0.170151D+01
      5   0.338793D+01  0.691068D+00  0.111504D+01 -0.134989D+01  0.548877D+01
      6  -0.915071D+01  0.225101D+01 -0.259221D+01 -0.775280D+00 -0.194268D+00
                86            87            88            89            90 
      1  -0.100332D+02 -0.490973D+01  0.279737D+01 -0.321679D+01 -0.503793D+01
      2   0.515355D+01 -0.511712D+00 -0.175431D+01 -0.435998D+00 -0.157943D+01
      3   0.487963D+01  0.542144D+01 -0.104306D+01  0.365279D+01  0.661736D+01
      4   0.178853D+02  0.107723D+02  0.932920D+00  0.943695D+01  0.420725D+01
      5   0.844887D+01  0.904795D+01  0.306084D+01  0.391663D+01  0.703155D+01
      6   0.145109D+02  0.110842D+02  0.185397D+00  0.910390D+01  0.463135D+01
                91            92            93            94            95 
      1   0.204092D+01 -0.336138D+01 -0.779331D+00 -0.257384D+01 -0.111150D+02
      2   0.286322D+01 -0.185781D+00  0.209378D+00 -0.259728D+01  0.250715D+02
      3  -0.490414D+01  0.354716D+01  0.569953D+00  0.517112D+01 -0.139565D+02
      4  -0.727293D+01  0.106170D+02  0.134732D+01  0.124532D+02 -0.304811D+02
      5  -0.202383D+01  0.122894D+01  0.537214D+01  0.101874D+01 -0.504395D+01
      6   0.173591D+01 -0.127970D+01  0.415836D-01 -0.137519D+01  0.727645D+01
                96            97            98            99           100 
      1  -0.234358D+01 -0.502839D+00 -0.232061D+01 -0.239284D+01  0.472031D+01
      2   0.423396D+01 -0.153591D-01  0.297802D+01  0.235140D+01 -0.350097D+00
      3  -0.189039D+01  0.518198D+00 -0.657404D+00  0.414399D-01 -0.437021D+01
      4  -0.563219D+01  0.138788D+01 -0.571276D+01 -0.483611D+01  0.262009D+01
      5  -0.624939D+01  0.556476D+01 -0.423880D+01 -0.360798D+01 -0.110671D+01
      6   0.594721D+01 -0.123547D+01  0.792155D+01  0.313487D+01 -0.514525D+00
               101           102           103           104           105 
      1   0.329258D+01 -0.205127D+01  0.639657D+01 -0.109554D+02  0.151695D+01
      2  -0.179995D+01 -0.316616D+00 -0.236047D+01  0.238382D+02  0.169977D+01
      3  -0.149263D+01  0.236788D+01 -0.403610D+01 -0.128828D+02 -0.321671D+01
      4   0.239815D+01  0.647701D+00  0.845797D+01  0.330000D+02 -0.109590D+01
      5  -0.305846D+00 -0.151440D+01 -0.410829D+01 -0.143112D+00  0.685968D+01
      6   0.370126D+00 -0.103686D+01 -0.174213D+01 -0.140658D+02  0.514819D+01
               106           107           108           109           110 
      1   0.191313D+01  0.116371D+01 -0.449780D+01 -0.159491D+01 -0.165544D+01
      2  -0.132569D+01  0.188515D+01  0.215341D+01 -0.277490D+01  0.229002D+00
      3  -0.587437D+00 -0.304886D+01  0.234440D+01  0.436981D+01  0.142644D+01
      4   0.235081D+01  0.453944D+01  0.243875D+01 -0.178379D+01 -0.163767D+01
      5  -0.846622D+00  0.274134D+01  0.297817D+00 -0.591885D+00  0.924201D+00
      6  -0.462309D-01  0.350850D+01  0.405338D+00  0.850051D+00  0.256627D+01
               111           112           113           114           115 
      1  -0.121550D+02 -0.337606D+01 -0.510319D+01 -0.363975D+01 -0.940539D+01
      2  -0.230207D+01  0.207576D+01  0.140771D+01 -0.236810D+01  0.278579D+01
      3   0.144571D+02  0.130029D+01  0.369548D+01  0.600785D+01  0.661960D+01
      4  -0.628422D+00  0.379547D+00 -0.199279D+00 -0.361930D+01 -0.155351D+01
      5  -0.370729D+01  0.264045D+01 -0.238341D+01 -0.580351D+01  0.577729D+01
      6   0.539289D-02  0.904771D+00  0.160178D+01  0.730274D+01 -0.714501D-01
               116           117           118           119           120 
      1  -0.155019D+01 -0.297311D+02  0.810711D+02 -0.571477D+01 -0.831413D+01
      2  -0.147350D+01 -0.164646D+02 -0.451629D+02  0.330234D+01  0.795810D+01
      3   0.302369D+01  0.461957D+02 -0.359082D+02  0.241243D+01  0.356023D+00
      4  -0.471557D+01 -0.318354D+01 -0.151348D+01  0.106060D+02 -0.756182D-01
      5  -0.104982D+01 -0.326981D+02 -0.312473D+02  0.151366D+01  0.151002D+02
      6   0.625753D+01 -0.252626D-01  0.212000D+01 -0.350349D+01  0.360100D+00
               121           122           123           124           125 
      1  -0.127773D+02  0.644827D+01  0.765862D+00 -0.114390D+00  0.154852D+00
      2   0.710646D+01 -0.134936D+01 -0.201609D+01  0.261234D+01 -0.485485D+00
      3   0.567085D+01 -0.509891D+01  0.125023D+01 -0.249795D+01  0.330633D+00
      4   0.104376D+02 -0.184320D+01 -0.778600D+00  0.948194D+00  0.554420D+00
      5   0.607046D+01 -0.218399D+01 -0.510844D+01  0.109118D+02 -0.172761D+01
      6  -0.316648D+01  0.641816D+00  0.107374D+01  0.153741D+00  0.691202D+00
               126           127           128           129           130 
      1   0.429091D+01 -0.542449D+01  0.900459D+01  0.935066D+00  0.753450D+01
      2  -0.537494D+01  0.712357D+01 -0.113889D+02 -0.707535D+00 -0.962159D+01
      3   0.108402D+01 -0.169908D+01  0.238433D+01 -0.227531D+00  0.208709D+01
      4  -0.171170D+01 -0.358740D+01  0.704533D+01  0.598394D+00  0.532276D+01
      5  -0.515184D+01 -0.353892D+00  0.619310D+00  0.112990D+01  0.489686D+00
      6   0.555966D+00  0.957494D+00 -0.123432D+01 -0.186533D+01 -0.115016D+01
               131           132           133           134           135 
      1  -0.340106D+02 -0.300687D+01  0.832034D+00 -0.288416D+01 -0.147147D+01
      2   0.467290D+02  0.286605D+01 -0.112647D+01  0.380891D+01  0.192985D+01
      3  -0.127184D+02  0.140824D+00  0.294434D+00 -0.924756D+00 -0.458381D+00
      4   0.138382D+01  0.257346D+00  0.456815D+00  0.209171D+00 -0.140502D+01
      5   0.337926D+00  0.253095D-01  0.755086D+00 -0.770532D+00 -0.148201D+00
      6   0.512436D+01  0.689090D+01 -0.355496D+00  0.229677D+01  0.752640D+00
               136           137           138           139           140 
      1   0.221784D+02  0.138365D+02  0.128426D+01  0.938309D+01  0.365566D+01
      2  -0.422115D+01  0.942963D+00 -0.508418D+00  0.634699D+01  0.166630D+02
      3  -0.179572D+02 -0.147794D+02 -0.775839D+00 -0.157301D+02 -0.203186D+02
      4   0.330601D+02  0.300298D+02  0.218425D+01  0.337140D+02  0.439925D+02
      5   0.343018D+01  0.249307D+01  0.601178D+01  0.332526D+01  0.385723D+01
      6   0.143252D+01  0.127191D+01  0.322735D+01  0.213480D+01  0.296222D+01
               141           142           143           144           145 
      1   0.354516D+00  0.710522D+00  0.165988D+00 -0.241442D+00  0.966712D+02
      2   0.392616D+00  0.434572D+00  0.124171D+01  0.954603D+00 -0.542829D+02
      3  -0.747133D+00 -0.114509D+01 -0.140770D+01 -0.713161D+00 -0.423884D+02
      4   0.340704D+01  0.305882D+01  0.363767D+01  0.214346D+01 -0.159560D+02
      5   0.544407D+01  0.162291D+01  0.169201D+01  0.697925D+00 -0.180142D+01
      6   0.565053D+01  0.135197D+01  0.222774D+01  0.861962D+00 -0.109676D+01
               146           147           148           149           150 
      1  -0.981493D+01 -0.158516D+01 -0.936744D+01  0.994352D+01  0.785450D+00
      2   0.478277D+01  0.106910D+01  0.401235D+01 -0.452855D+01 -0.641458D+00
      3   0.503216D+01  0.516063D+00  0.535509D+01 -0.541498D+01 -0.143993D+00
      4   0.101985D+02  0.731678D-01  0.163790D+02 -0.525613D+01 -0.448978D+00
      5  -0.115525D-01  0.104186D+02  0.145236D+01 -0.373459D+00 -0.135320D+01
      6   0.353514D-01 -0.955277D+00 -0.147835D+00 -0.123163D+00  0.160190D+01
               151           152           153           154           155 
      1  -0.141447D+01  0.793239D+00  0.254540D+01  0.488734D+01 -0.423724D+01
      2   0.756165D+00 -0.450166D+00 -0.167386D+01  0.383618D+01 -0.585946D+01
      3   0.658306D+00 -0.343072D+00 -0.871541D+00 -0.872352D+01  0.100967D+02
      4   0.152170D+01 -0.554920D+00 -0.566424D+00 -0.179138D+02  0.228704D+02
      5   0.206592D+01 -0.378328D+00 -0.256361D+00 -0.176826D+01  0.189339D+01
      6  -0.205457D+00  0.736359D+00  0.153303D+00  0.130213D+01 -0.144704D+01
               156           157           158           159           160 
      1  -0.486147D+00  0.938197D+00 -0.168296D+02 -0.161710D+01  0.444784D-01
      2  -0.153547D+00 -0.119381D+02  0.403946D+02  0.262823D+01 -0.107323D+01
      3   0.639694D+00  0.109999D+02 -0.235650D+02 -0.101113D+01  0.102875D+01
      4   0.209078D+01  0.240318D+02 -0.476016D+02 -0.442688D+01  0.251893D+01
      5   0.365569D+01  0.225566D+01 -0.406521D+01 -0.497067D+01  0.109366D+01
      6  -0.229326D+01 -0.227103D+01  0.559733D+01  0.750578D+01 -0.116775D+01
               161           162           163           164           165 
      1  -0.157453D+01 -0.156396D+01 -0.472191D+01 -0.675333D+01 -0.732281D+00
      2   0.362242D+01  0.217427D+01  0.641351D+01  0.960003D+01  0.561480D+00
      3  -0.204789D+01 -0.610307D+00 -0.169160D+01 -0.284671D+01  0.170802D+00
      4  -0.508182D+01 -0.183998D+01  0.854607D+01  0.835747D+01  0.492810D+00
      5  -0.110304D+01 -0.828077D+00  0.417017D+00  0.290262D+00  0.205989D+01
      6   0.290815D+01  0.134289D+01  0.727653D+00  0.125464D+01  0.219187D+01
               166           167           168           169           170 
      1  -0.793212D+01 -0.201939D+02 -0.201442D+01 -0.458129D+00 -0.167111D+01
      2   0.110449D+02  0.272717D+02  0.165901D+01  0.997581D+00  0.221444D+01
      3  -0.311274D+01 -0.707783D+01  0.355403D+00 -0.539452D+00 -0.543330D+00
      4   0.852666D+01  0.839728D+01  0.518324D+00  0.668408D+00  0.810828D+00
      5   0.331388D+00  0.559318D+00  0.150373D+01  0.776159D+00  0.656643D+00
      6   0.129482D+01  0.263234D+01  0.492025D+01  0.282458D+00  0.141618D+01
               171           172           173           174           175 
      1  -0.142860D+00  0.706896D+02 -0.267652D+01  0.115740D+02 -0.451787D+01
      2   0.896864D+00 -0.397494D+02  0.983890D+00 -0.910911D+01  0.856418D+00
      3  -0.754004D+00 -0.309402D+02  0.169263D+01 -0.246492D+01  0.366145D+01
      4   0.188972D+01 -0.472683D+01  0.752800D+01  0.105596D+00  0.873017D+01
      5   0.320781D+00  0.348572D+02 -0.994455D-01  0.149360D+02  0.769597D-01
      6   0.476764D+00 -0.142845D+01  0.245869D+01  0.277607D+00  0.169688D+01
               176           177           178           179           180 
      1   0.373427D+01  0.190670D+01  0.359250D+01  0.232066D+01  0.278422D+01
      2  -0.168768D+01 -0.116399D+01 -0.391386D+01 -0.457780D+00 -0.319366D+01
      3  -0.204659D+01 -0.742708D+00  0.321364D+00 -0.186288D+01  0.409438D+00
      4  -0.134451D+01  0.271871D+01  0.207471D+01  0.120658D+01 -0.912792D+00
      5   0.336805D+01 -0.771577D+00  0.870883D+01  0.276129D-01  0.453317D+01
      6  -0.114938D+00  0.199296D+01  0.734044D+00  0.156616D+01 -0.357410D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.488528D+00      0.124171D+01      0.414191D+01
   x          0.245672D+00      0.624437D+00      0.208290D+01
   y          0.306186D+00      0.778248D+00      0.259596D+01
   z         -0.290782D+00     -0.739095D+00     -0.246536D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.990668D+02      0.146802D+02      0.163339D+02
   aniso      0.481404D+02      0.713368D+01      0.793729D+01
   xx         0.126027D+03      0.186753D+02      0.207790D+02
   yx         0.233992D+00      0.346741D-01      0.385801D-01
   yy         0.100325D+03      0.148666D+02      0.165413D+02
   zx        -0.475344D+00     -0.704387D-01     -0.783737D-01
   zy         0.314265D+01      0.465692D+00      0.518152D+00
   zz         0.708488D+02      0.104987D+02      0.116814D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104551D+03      0.154928D+02      0.172381D+02
   aniso      0.481786D+02      0.713933D+01      0.794358D+01
   xx         0.131563D+03      0.194957D+02      0.216919D+02
   yx         0.629342D+00      0.932588D-01      0.103764D+00
   yy         0.105829D+03      0.156823D+02      0.174489D+02
   zx        -0.744588D+00     -0.110337D+00     -0.122766D+00
   zy         0.263159D+01      0.389962D+00      0.433891D+00
   zz         0.762598D+02      0.113005D+02      0.125735D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -3.16264946         -2.64831002         -0.27778944
     6         -0.93351667         -1.80403370          0.82033765
     6          0.26368603          0.37719244         -0.05123014
     6         -0.83459396          1.69448755         -2.04621225
     6         -3.07174258          0.86616067         -3.14556156
     6         -4.24272983         -1.31177548         -2.26499903
     6          2.71662331          1.28124023          1.11439242
     7          4.77041665         -0.43212748          0.35650236
     6          2.49356907          1.66247434          3.97928923
     1          4.34187185         -2.23750951          0.83547126
     1          3.15080572          3.11696807          0.27079024
     1          2.09365808         -0.11848481          4.94091989
     1          0.98361194          2.99179990          4.43991829
     1          4.26260304          2.40891876          4.73766965
     1          0.08062436          3.38429690         -2.75161921
     1         -3.89567118          1.91962729         -4.69371475
     1         -5.98359732         -1.96365186         -3.11810447
     1         -4.06203660         -4.34703777          0.42313092
     1         -0.12779218         -2.86030940          2.37789561
     1          6.39112054          0.02566040          1.27275774

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.488528D+00      0.124171D+01      0.414191D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.488528D+00      0.124171D+01      0.414191D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.990668D+02      0.146802D+02      0.163339D+02
   aniso      0.481404D+02      0.713368D+01      0.793729D+01
   xx         0.109965D+03      0.162951D+02      0.181308D+02
   yx         0.128074D+02      0.189786D+01      0.211165D+01
   yy         0.927666D+02      0.137466D+02      0.152951D+02
   zx         0.212773D+02      0.315296D+01      0.350815D+01
   zy        -0.812091D+01     -0.120339D+01     -0.133896D+01
   zz         0.944689D+02      0.139988D+02      0.155758D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104551D+03      0.154928D+02      0.172381D+02
   aniso      0.481786D+02      0.713933D+01      0.794358D+01
   xx         0.115211D+03      0.170725D+02      0.189957D+02
   yx         0.128217D+02      0.189998D+01      0.211401D+01
   yy         0.977019D+02      0.144779D+02      0.161089D+02
   zx         0.213336D+02      0.316131D+01      0.351743D+01
   zy        -0.816570D+01     -0.121003D+01     -0.134634D+01
   zz         0.100740D+03      0.149282D+02      0.166098D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-29\Freq\RwB97XD\Gen\C8H11N1\PIERPA\13-Aug-2021\0\\#P 
 wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-1.759102,1.
 294865,0.124219\C,-0.385999,1.089252,0.091522\C,0.14322,-0.195011,-0.0
 38794\C,-0.738993,-1.267271,-0.139586\C,-2.114323,-1.067587,-0.113927\
 C,-2.629131,0.215606,0.019441\C,1.640191,-0.425479,-0.053017\N,2.17389
 1,-0.208169,1.300507\C,2.343118,0.395962,-1.141195\H,1.921765,0.715604
 ,1.63438\H,1.800966,-1.482881,-0.280603\H,2.234739,1.467081,-0.95983\H
 ,1.932322,0.176383,-2.128993\H,3.410705,0.164795,-1.156871\H,-0.3425,-
 2.270931,-0.234294\H,-2.783048,-1.915102,-0.194949\H,-3.699496,0.37469
 1,0.041084\H,-2.150672,2.298939,0.227511\H,0.276829,1.94291,0.165669\H
 ,3.187261,-0.25633,1.291368\\Version=ES64L-G16RevA.03\State=1-A\HF=-36
 6.398475\RMSD=4.298e-09\RMSF=1.104e-05\ZeroPoint=0.1733943\Thermal=0.1
 820342\Dipole=0.2456725,0.3061864,-0.2907823\DipoleDeriv=-0.0055481,-0
 .0395721,-0.0041433,-0.0534349,0.1049564,0.0263004,-0.0133262,0.021262
 7,-0.1300898,-0.0961462,0.0511488,0.0021895,0.1004452,-0.0048159,0.004
 7665,0.0157933,0.008218,-0.1248653,0.1913495,0.0014944,-0.0019574,-0.0
 232795,-0.0647376,0.0201265,0.0745663,-0.0093488,-0.1007609,-0.1224836
 ,-0.052877,0.004071,-0.0546249,0.0762202,0.010969,0.0003505,0.0101602,
 -0.1157259,0.0147245,0.0760443,0.0052251,0.0726774,0.0648962,0.0214846
 ,-0.0031372,0.016409,-0.1211068,0.053158,-0.0265114,-0.0027664,-0.0183
 383,-0.0757522,0.0059024,-0.0031128,0.0093991,-0.1415356,0.4463354,0.0
 200702,0.0729277,0.0372126,0.2416452,0.009736,0.0287877,-0.0485557,0.6
 063924,-0.4270942,-0.0503371,-0.0541946,-0.0208991,-0.2920598,0.156472
 7,-0.0806949,0.1123094,-0.760556,-0.0207432,-0.0543188,0.0721348,-0.03
 0636,0.051119,0.0919804,-0.0180213,0.0786503,-0.0691199,0.1897313,0.05
 47588,-0.0456591,0.0400449,0.0063551,-0.0929422,-0.0121966,0.0122135,0
 .2190792,-0.0002907,-0.0170726,0.0105116,0.0317466,-0.1484802,-0.04415
 64,0.0016822,-0.0244817,-0.0320488,0.0647704,0.0487765,0.017016,0.0054
 21,-0.1214868,-0.0102691,0.0131819,-0.0670041,0.0279175,0.0442786,-0.0
 253869,-0.0847877,-0.0168263,0.0410226,-0.037368,-0.0539413,-0.004945,
 -0.1403688,-0.2108373,0.0270285,0.0307139,0.0387961,0.0491221,0.012805
 6,0.005217,0.0164019,0.0517034,0.0369662,0.0790696,0.0091392,0.0583546
 ,-0.0639168,-0.0189621,0.008989,-0.0172196,0.1189242,-0.0128256,-0.081
 5672,-0.0064492,-0.0893649,-0.0384494,-0.0165678,-0.0071772,-0.0176079
 ,0.1292471,-0.1086658,0.0256621,0.0044051,0.0255299,0.0652259,-0.00710
 11,0.004631,-0.007957,0.1345919,0.0303817,0.0540694,0.0064867,0.068330
 3,-0.0837561,-0.022386,0.0077037,-0.0206215,0.1283207,-0.0027224,-0.09
 24046,-0.0126608,-0.1021096,-0.021932,-0.0100557,-0.0111696,-0.0107729
 ,0.1165044,-0.0643385,0.0019252,-0.0222019,-0.069045,0.2148243,-0.1007
 357,0.0418747,-0.0565099,0.2034971\Polar=126.0269848,0.2339921,100.324
 5995,-0.4753442,3.1426457,70.8488249\Quadrupole=3.880654,1.4418845,-5.
 3225385,0.9087767,-0.3899098,2.4709934\PG=C01 [X(C8H11N1)]\NImag=0\\0.
 67225688,-0.02515725,0.72304094,-0.00636296,0.06035674,0.13436857,-0.3
 3049136,0.06301588,0.00834360,0.69916345,-0.00230157,-0.13168005,-0.00
 749028,0.03554909,0.68660745,0.00187542,-0.00803855,-0.05882889,-0.002
 06416,0.05332768,0.13750177,-0.01170921,0.03716567,0.00366073,-0.15231
 850,0.09140308,0.00978559,0.63552128,0.08534063,0.01717191,0.00066182,
 0.02980882,-0.28303673,-0.02082927,0.01109813,0.66198622,0.00909989,0.
 00127344,0.00602398,0.00308107,-0.02151156,-0.06987595,0.00320404,0.04
 682204,0.19074652,-0.05977876,-0.02336995,-0.00188778,0.06039594,-0.04
 061713,-0.00496901,-0.20167316,-0.05956311,-0.00579645,0.67918479,-0.0
 2245066,-0.01020599,-0.00010839,0.00468840,-0.05727747,-0.00701196,-0.
 12759848,-0.24237111,-0.01681771,-0.02977170,0.71459906,-0.00133555,-0
 .00024782,-0.00756912,-0.00016765,-0.00612863,0.01080105,-0.01231229,-
 0.01749089,-0.06865654,-0.00391318,0.05603953,0.13808003,0.06205868,0.
 00548149,0.00012943,-0.04220674,0.03195429,0.00373567,-0.04206591,-0.0
 6667435,-0.00663540,-0.32767341,0.06130688,0.00656169,0.68997582,-0.04
 185319,-0.05769832,-0.00612683,0.03305597,-0.02684954,-0.00256135,-0.0
 1898465,0.04834158,0.00386036,-0.00400636,-0.13335704,-0.00642012,0.03
 715815,0.70652007,-0.00450188,-0.00652119,0.00617635,0.00343027,-0.002
 23702,-0.00741849,-0.00135222,0.00509156,0.00615467,0.00076556,-0.0075
 6776,-0.06061929,0.00083478,0.05771476,0.13538729,-0.20845644,-0.13044
 019,-0.01256919,-0.04407810,-0.01843273,-0.00133931,-0.00008242,-0.010
 60943,-0.00069311,-0.01192208,0.03727302,0.00351298,-0.15771294,0.1023
 9341,0.01100587,0.74109303,-0.06619578,-0.25000950,-0.01925567,-0.0658
 4406,0.04720461,0.00494058,-0.00969609,-0.06842498,-0.00640938,0.08454
 742,0.01659287,-0.00004284,0.03807667,-0.30337213,-0.02508321,-0.01295
 919,0.65605469,-0.00616786,-0.01883828,-0.06000698,-0.00610446,0.00412
 274,0.00647574,-0.00116522,-0.00627668,-0.00641392,0.00865786,0.000866
 27,0.00617238,0.00454992,-0.02551103,-0.06101566,-0.00466049,0.0539792
 9,0.13154583,0.00317301,0.00070507,-0.00012383,-0.01457043,0.01089185,
 0.00145265,-0.18558107,0.01715836,0.00628225,-0.02514094,-0.00151052,0
 .00016591,0.00070054,-0.00177230,-0.00084479,0.00014524,-0.00077868,0.
 00005267,0.49293333,0.00222550,-0.00587137,-0.00106294,0.03147760,0.00
 039008,0.00004708,0.02077428,-0.09722702,-0.00474249,-0.02282049,0.008
 17233,-0.00054871,-0.00348745,-0.00333490,-0.00150647,-0.00084367,-0.0
 0178588,-0.00012571,-0.02932826,0.60187534,0.00038432,-0.00153348,0.00
 591548,0.00361236,-0.00014750,0.00148914,0.00317081,-0.00181529,-0.070
 02266,-0.00114550,0.00021922,0.00464171,0.00034706,-0.00113118,0.00752
 158,-0.00012952,0.00009643,-0.00089131,-0.00615674,0.04512777,0.429001
 55,0.00040745,-0.00066044,0.00114336,-0.00004239,-0.00107951,-0.000878
 21,-0.02331372,-0.00665544,-0.03642794,-0.00149348,0.00247226,-0.00027
 441,-0.00043288,-0.00023769,0.00189946,-0.00068810,-0.00018537,-0.0001
 7443,-0.09681363,0.01786996,-0.05268372,0.59808505,-0.00069824,0.00042
 371,-0.00020522,0.00122278,-0.00118102,0.00006320,0.00090289,0.0027769
 1,0.00589407,-0.00005988,-0.00075609,0.00020109,0.00042009,-0.00004812
 ,-0.00008018,0.00047230,0.00040988,0.00010091,0.00481113,-0.08148577,-
 0.04812519,-0.11976019,0.45895364,-0.00028404,-0.00028713,0.00019840,0
 .00161511,-0.00084136,0.00031696,-0.01291150,-0.00071535,-0.00349475,0
 .00092877,0.00081635,-0.00008001,-0.00047296,0.00019906,0.00013731,0.0
 0001062,-0.00005317,0.00000623,-0.01488264,-0.00844635,-0.16892421,0.0
 4001238,0.18022653,0.34239464,0.00058097,-0.00058630,-0.00047711,-0.00
 062962,-0.00000877,0.00074201,-0.02207605,-0.01940934,0.02346983,-0.00
 246489,0.00227425,0.00059833,-0.00082304,-0.00024039,-0.00140316,-0.00
 057774,-0.00038725,0.00000285,-0.09976807,-0.02559238,0.03526571,0.006
 37345,0.00600801,-0.01400536,0.54424191,-0.00069299,-0.00047037,-0.000
 07193,0.00193221,0.00041290,-0.00006155,-0.00289171,0.00474599,-0.0041
 1658,0.00070278,-0.00075196,0.00012444,0.00024895,0.00020593,0.0001731
 4,0.00026807,0.00036904,-0.00010342,-0.02308582,-0.11485287,0.03488973
 ,0.00308922,0.00674996,-0.00472785,-0.02727135,0.53534815,-0.00000434,
 0.00021745,0.00011295,-0.00087831,0.00064468,0.00024580,0.00905709,0.0
 0022453,-0.00045462,-0.00163512,-0.00053599,-0.00076898,-0.00011031,-0
 .00000302,-0.00042651,-0.00026666,0.00001176,-0.00001248,0.02644229,0.
 03165739,-0.11008647,0.00740976,0.01716516,-0.04307392,0.04210028,0.04
 551197,0.50664368,-0.00079302,0.00002863,0.00031271,0.00023893,0.00002
 876,0.00018971,0.00150851,-0.00150079,-0.00013720,-0.00070096,-0.00047
 778,0.00024319,0.00043901,-0.00017057,-0.00006396,0.00010757,0.0005313
 2,0.00002298,0.00332070,-0.01513600,-0.00390578,-0.07302543,0.08079494
 ,0.01200424,-0.00034666,0.00063173,0.00022781,0.08053210,-0.00050611,-
 0.00012885,0.00003071,0.00015051,0.00051838,0.00042851,0.00063586,0.00
 084012,0.00026517,-0.00046673,-0.00043835,0.00011653,0.00028714,-0.000
 12650,-0.00000838,0.00000889,0.00036037,0.00003461,-0.00068551,-0.0093
 8903,0.00327105,0.10869165,-0.35057556,-0.13779591,0.00034098,0.001827
 25,0.00108029,-0.10291122,0.35960591,-0.00039179,0.00033242,0.00010949
 ,-0.00009216,-0.00096423,0.00002895,0.00079214,0.00043785,0.00108253,-
 0.00044133,-0.00016884,0.00006886,0.00049553,-0.00016863,0.00000192,0.
 00024684,0.00042573,-0.00001433,0.00831360,-0.03535078,-0.01644846,0.0
 0985372,-0.09861480,-0.06625142,0.00025095,-0.00125932,0.00082669,-0.0
 1810540,0.13218694,0.08667335,0.00025431,0.00167691,-0.00006012,-0.006
 06608,-0.00126190,0.00017572,-0.00963476,0.03280366,0.00655839,0.00087
 802,0.00259498,0.00005168,-0.00013854,-0.00008488,0.00004113,0.0000373
 7,-0.00028120,0.00000983,-0.05619674,0.03656920,0.00863530,0.00396749,
 -0.01270052,-0.00748716,0.00202072,-0.01765504,-0.00048672,-0.00098815
 ,-0.00134605,-0.00221982,0.06619955,-0.00046839,-0.00044056,-0.0000814
 8,0.00122003,0.00086578,-0.00016495,0.00246402,-0.00689888,-0.00077558
 ,-0.00307039,0.00036447,0.00038403,0.00043132,0.00035777,0.00019653,-0
 .00010661,0.00041456,0.00002596,0.03906288,-0.28329481,-0.04648637,-0.
 00040031,-0.00283310,-0.00718105,0.00186417,-0.01984580,-0.00036322,-0
 .00155127,0.00139670,-0.00003604,-0.03741148,0.30833713,-0.00018179,-0
 .00001663,0.00008616,0.00004601,-0.00008207,0.00102907,0.00000589,-0.0
 0016400,0.00044163,-0.00043914,-0.00009120,-0.00005691,0.00004141,0.00
 008907,-0.00003982,0.00001580,0.00009234,0.00006487,0.00757922,-0.0419
 1641,-0.05363951,0.00452424,-0.03340606,-0.01934266,-0.00173293,0.0243
 2612,0.00356728,-0.00435034,-0.00247592,-0.00466070,-0.00718019,0.0518
 6628,0.07343342,-0.00029504,0.00013085,-0.00011998,-0.00047953,-0.0003
 9409,0.00018949,0.00121777,-0.00016669,-0.00078909,-0.00040926,-0.0001
 6569,-0.00010820,0.00032023,-0.00005058,-0.00001027,0.00006356,0.00028
 528,0.00001194,0.00115120,-0.01680665,-0.00351313,-0.00005739,0.000981
 76,-0.00108767,-0.04952178,0.02838051,0.00519777,0.00036865,0.00038855
 ,0.00015270,-0.00092525,-0.00182368,0.00257674,0.05120795,-0.00026650,
 0.00048346,-0.00009984,0.00015157,-0.00060896,-0.00069155,0.00162372,0
 .00016969,0.00013555,-0.00043302,-0.00017685,-0.00006704,0.00026698,-0
 .00000264,-0.00005380,0.00006438,0.00022694,0.00009763,0.00100667,-0.0
 2048482,-0.00444608,0.00031818,0.00286220,-0.00027128,0.02727261,-0.29
 473019,-0.04511487,0.00011300,0.00015108,0.00099682,-0.00220618,-0.000
 38219,0.00313561,-0.03009128,0.32322536,0.00008377,-0.00010845,-0.0000
 3770,0.00022169,0.00024137,-0.00026731,-0.00085696,-0.00081978,0.00053
 428,0.00017975,0.00011998,0.00020491,-0.00012306,0.00000552,0.00001081
 ,-0.00004524,-0.00013318,0.00003004,-0.00286133,0.02493515,0.00323303,
 -0.00046181,-0.00089479,0.00313770,0.00438703,-0.04592968,-0.05500371,
 0.00023849,-0.00039110,-0.00043092,0.00250118,0.00293186,-0.00298887,-
 0.00802025,0.04832749,0.05728344,-0.00006387,0.00000946,-0.00009078,0.
 00005793,-0.00000881,0.00001159,0.00036588,0.00043694,0.00045404,0.000
 16271,-0.00004039,-0.00006185,-0.00003659,0.00000798,0.00001842,0.0000
 3152,0.00000421,0.00001106,0.00523306,0.00515417,0.01278059,0.00015295
 ,-0.00179070,0.00362195,-0.08578699,-0.02133256,-0.09033131,0.00001586
 ,-0.00006883,-0.00014568,0.00042462,0.00023687,-0.00067755,0.00080360,
 0.00068515,0.00424727,0.08943154,0.00017834,0.00013709,0.00016869,-0.0
 0009328,-0.00034823,0.00000555,0.00022362,0.00053574,-0.00018511,0.000
 16305,0.00010231,-0.00008718,-0.00010129,-0.00000088,0.00005000,0.0000
 6766,-0.00010899,-0.00000430,0.00839500,0.00450341,0.01411056,-0.00145
 940,-0.00031768,0.00419065,-0.02123568,-0.05945907,-0.04893195,-0.0002
 6210,-0.00031558,0.00071835,0.00059350,0.00025657,-0.00074687,-0.01264
 025,-0.00541736,-0.02857884,0.02403989,0.05956866,0.00008321,-0.000022
 88,-0.00002599,0.00018923,-0.00042487,0.00023810,-0.00110308,-0.000087
 83,0.00067593,0.00036016,0.00012933,0.00026464,0.00005255,0.00012311,-
 0.00004554,-0.00003230,-0.00002289,-0.00001827,-0.01008888,-0.00806405
 ,-0.01778537,0.00241476,0.00413924,-0.00606240,-0.08863881,-0.04829652
 ,-0.25687082,-0.00019463,0.00036098,0.00043412,-0.00017096,0.00052488,
 0.00074959,-0.00163949,-0.00104593,-0.00428760,0.09805713,0.05245080,0
 .28088234,0.00013835,-0.00003565,-0.00002076,0.00008232,-0.00040474,0.
 00002827,0.00010076,-0.00264769,0.00235241,-0.00032061,0.00063331,0.00
 040088,-0.00025165,-0.00000341,-0.00025243,-0.00014411,-0.00015451,0.0
 0000740,-0.01615594,0.00376448,-0.00133631,0.00199882,0.00017138,-0.00
 086093,-0.29218929,0.05641270,0.00137044,-0.00003144,0.00008038,-0.000
 02060,0.00066118,-0.00053879,-0.00017166,-0.00254937,0.00081904,-0.000
 01222,-0.01098565,0.00254670,0.00015975,0.31918124,-0.00012711,0.00021
 106,-0.00033685,-0.00006861,-0.00031218,-0.00028268,-0.00031348,-0.001
 69057,0.00313502,-0.00066297,0.00024274,-0.00007328,0.00012268,-0.0000
 6717,-0.00028654,-0.00009308,0.00012700,0.00007012,-0.01987242,0.00302
 538,0.00164191,0.00001217,-0.00006028,-0.00193600,0.05699786,-0.059443
 38,-0.00095083,0.00010907,-0.00001519,0.00009036,0.00010513,0.00082351
 ,-0.00082394,0.03116021,-0.00628092,0.00039078,-0.00710745,0.00078739,
 0.00053960,-0.06061324,0.06190119,-0.00006513,-0.00000372,0.00003771,0
 .00020122,0.00011020,0.00022764,0.00119768,0.00292165,-0.00263547,0.00
 075867,-0.00039669,-0.00003666,0.00019158,0.00011237,0.00027872,0.0001
 3617,0.00009083,-0.00003490,0.02378840,-0.00546635,-0.00245015,0.00025
 816,-0.00061864,0.00254421,-0.00010747,-0.00096366,-0.04705626,0.00008
 106,-0.00001490,-0.00007890,-0.00084704,-0.00039904,0.00083783,0.00598
 804,-0.00118149,-0.00103147,-0.02833929,0.00740085,0.00142459,-0.00262
 278,-0.00181871,0.04882090,-0.00096481,-0.00060896,-0.00004199,-0.0018
 5887,-0.00329990,-0.00033389,0.00906031,-0.01759875,-0.00160760,-0.094
 68400,0.09244139,0.00895148,-0.00699672,0.03069972,0.00285935,-0.00564
 315,-0.00032569,0.00002046,0.00133386,-0.00216339,-0.00032618,-0.00005
 494,0.00020884,0.00012130,-0.00001090,0.00015571,0.00001548,0.00006205
 ,0.00004797,0.00001806,-0.00020680,0.00027432,0.00016199,0.00003611,0.
 00005302,-0.00006360,0.00000390,0.00000110,-0.00001878,-0.00000046,-0.
 00000191,-0.00001949,0.09895434,-0.00077175,0.00039996,0.00008547,-0.0
 0421998,-0.00218399,-0.00071149,0.01083740,-0.02039741,-0.00230765,0.0
 9158472,-0.29315961,-0.02431820,-0.00016238,-0.00074517,-0.00028311,0.
 00069304,0.00205208,-0.00047180,0.00242239,-0.00005589,0.00012676,-0.0
 0024586,0.00041539,0.00012087,-0.00028490,0.00038558,0.00009267,0.0002
 2160,0.00011353,0.00011331,-0.00116995,0.00101114,0.00019720,0.0001400
 0,0.00019555,-0.00008783,0.00000073,-0.00004969,0.00000965,-0.00007748
 ,-0.00003666,0.00006984,-0.09990077,0.31258829,-0.00010813,0.00005995,
 -0.00033501,-0.00042967,-0.00070975,0.00556419,0.00142895,-0.00257529,
 0.00396349,0.00838309,-0.02409597,-0.03772755,0.00013861,-0.00053651,0
 .00202264,0.00018455,-0.00046766,0.00729775,0.00030642,0.00081437,-0.0
 0382686,-0.00070632,0.00007071,-0.00026720,0.00058433,0.00013249,0.000
 26916,-0.00002537,-0.00003646,-0.00000766,-0.00007610,-0.00010041,0.00
 022071,0.00002908,0.00003628,-0.00004884,-0.00000773,-0.00000948,-0.00
 005677,0.00007549,0.00011764,-0.00012043,-0.00975973,0.02708591,0.0273
 6828,0.00024944,0.00268180,0.00034234,-0.00056352,0.00106060,0.0001014
 7,-0.00512066,0.00233181,0.00021582,-0.01468650,-0.02671902,-0.0025432
 2,-0.16473854,-0.13295836,-0.01253412,0.01112325,0.01041694,0.00097968
 ,-0.00003977,-0.00131315,0.00001835,-0.00027289,0.00008080,-0.00005748
 ,-0.00031989,0.00014090,-0.00010714,0.00001842,0.00000706,0.00002363,0
 .00002704,0.00005642,0.00000831,0.00001579,-0.00001995,-0.00000510,0.0
 0001554,0.00000040,0.00001621,-0.00009575,-0.00006082,0.00008986,0.001
 06904,0.00038724,0.00002935,0.17217939,0.00362535,-0.00404351,-0.00118
 299,0.00100071,-0.00001330,0.00005999,0.00151791,0.00155990,-0.0005749
 9,0.00428646,0.00703021,0.00047546,-0.13296222,-0.22803376,-0.01859176
 ,-0.02055563,-0.01821961,-0.00190343,0.00032222,0.00016702,0.00003715,
 -0.00004847,0.00000395,-0.00003096,-0.00000254,-0.00001899,-0.00003907
 ,0.00000948,-0.00000605,0.00001144,-0.00001256,-0.00001305,-0.00000138
 ,0.00000317,-0.00000120,0.00000793,0.00000605,0.00000405,-0.00000379,-
 0.00000437,-0.00000450,-0.00000309,-0.00043573,0.00077589,0.00044477,0
 .14402931,0.24078029,0.00046980,-0.00116222,0.00731291,0.00010323,0.00
 009807,-0.00067593,0.00023627,-0.00061621,0.00748890,0.00056976,0.0006
 1645,0.00211771,-0.01259852,-0.01845276,-0.03667695,-0.00213291,-0.002
 21119,0.00181745,0.00000231,0.00011188,0.00005896,0.00003367,-0.000006
 76,0.00000134,-0.00006717,0.00001143,0.00005946,0.00000814,-0.00003897
 ,-0.00001221,0.00001207,-0.00000587,-0.00004253,0.00000569,0.00001189,
 -0.00002512,0.00000744,0.00000938,-0.00001673,-0.00003686,0.00000912,0
 .00002335,-0.00004319,0.00040880,-0.00365411,0.01354108,0.02080951,0.0
 2692075,-0.01546631,0.00545411,0.00062570,-0.00024636,-0.00381587,-0.0
 0034556,0.00065595,-0.00030464,-0.00005102,0.00141087,0.00235278,0.000
 27698,-0.00782093,-0.00054314,-0.00000917,-0.32936941,0.03998567,0.005
 59827,0.00004057,0.00003935,0.00002913,-0.00004063,0.00000042,-0.00006
 391,-0.00002312,-0.00006680,-0.00002451,0.00003016,-0.00000728,0.00005
 025,-0.00000456,0.00000145,-0.00000758,0.00001776,0.00003252,0.0000019
 4,0.00000741,0.00001099,0.00000220,-0.00002585,0.00002235,0.00000760,-
 0.00048037,-0.00012781,-0.00000068,0.00081561,0.00032952,0.00000696,0.
 35045384,-0.02559530,0.00808058,0.00081195,-0.00287035,-0.00338378,-0.
 00112381,-0.00024673,-0.00136968,-0.00002678,0.00132664,-0.00504442,-0
 .00130043,0.03048908,0.00053437,-0.00026153,0.04000791,-0.06543725,-0.
 00346208,0.00000960,0.00001363,0.00008575,0.00003251,0.00005869,0.0000
 1110,-0.00001277,-0.00001326,0.00001136,0.00004506,0.00000159,0.000052
 56,-0.00008730,0.00008028,0.00001584,0.00003283,0.00005220,-0.00001778
 ,-0.00000357,0.00000511,0.00000596,-0.00000002,0.00001994,-0.00000035,
 0.00144694,-0.00016034,-0.00006041,-0.00056393,0.00103117,0.00048175,-
 0.04337159,0.06444096,-0.00250667,0.00072046,0.00131890,-0.00022857,-0
 .00108511,0.00753481,0.00000973,-0.00009220,-0.00111388,0.00007830,-0.
 00132678,0.00775737,0.00321116,-0.00016104,0.00136210,0.00560119,-0.00
 344208,-0.03407558,0.00003367,0.00018307,-0.00102146,-0.00017174,-0.00
 001014,-0.00005787,0.00005710,0.00006281,0.00004551,-0.00003529,-0.000
 02175,-0.00001462,-0.00001356,-0.00002455,0.00000532,0.00004013,0.0000
 3459,-0.00001353,0.00000469,-0.00003268,0.00000425,0.00001110,0.000066
 52,-0.00000844,0.00017655,-0.00002828,0.00022385,-0.00009157,0.0004694
 9,-0.00364443,-0.00608534,0.00430011,0.02506715,-0.09555254,0.09191914
 ,0.00967217,-0.00696004,0.03067140,0.00313421,-0.00569421,-0.00030806,
 0.00004447,-0.00109260,-0.00072728,-0.00006844,-0.00192809,-0.00336344
 ,-0.00027399,0.01144165,-0.01944621,-0.00204095,0.00027040,0.00154727,
 0.00023949,-0.00003103,-0.00001894,-0.00000382,0.00004705,0.00006130,-
 0.00007656,0.00001314,-0.00000349,-0.00000577,-0.00049412,0.00012727,-
 0.00000063,-0.00000344,-0.00005261,0.00001041,0.00000194,-0.00000350,0
 .00001311,-0.00003597,-0.00003499,0.00002640,0.00007871,0.00008738,0.0
 0000642,0.00034784,-0.00100569,-0.00010607,0.00089339,0.00062560,0.000
 04278,0.09757652,0.09201342,-0.29588389,-0.02684695,-0.00020446,-0.000
 98394,-0.00024709,0.00064425,0.00207959,-0.00061429,-0.00072120,0.0005
 1789,0.00012434,-0.00431006,-0.00196924,-0.00090974,0.01154694,-0.0185
 3444,-0.00211142,-0.00037202,-0.00020997,-0.00008963,0.00010602,-0.000
 01375,0.00006134,0.00004496,-0.00002009,0.00004454,-0.00001356,-0.0000
 0197,-0.00004896,0.00010551,-0.00000754,0.00002041,-0.00001393,0.00000
 295,0.00000777,-0.00000729,-0.00000869,0.00000200,0.00003585,0.0000100
 2,-0.00002099,0.00008186,-0.00005621,0.00011874,0.00059989,-0.00098090
 ,-0.00013129,-0.00027874,0.00093600,0.00045644,-0.09965891,0.31425293,
 0.00965950,-0.02675613,-0.03723255,0.00007709,-0.00042695,0.00173812,0
 .00027449,-0.00063749,0.00775347,-0.00003621,0.00016917,-0.00060672,-0
 .00044800,-0.00088363,0.00721925,0.00109168,-0.00203090,0.00158374,-0.
 00013209,-0.00004903,0.00028123,-0.00001420,-0.00006099,-0.00014977,0.
 00012222,0.00009447,-0.00002187,-0.00007130,0.00001841,0.00004348,-0.0
 0003071,0.00000495,-0.00012923,0.00002419,-0.00003358,-0.00000691,0.00
 000666,-0.00001905,-0.00002006,-0.00000522,-0.00000998,-0.00001570,0.0
 0000260,0.00010667,-0.00122144,0.00005951,-0.00011634,0.00020683,-0.00
 005297,0.00045560,-0.00352555,-0.01048795,0.02970959,0.02789775,-0.015
 51026,-0.02733581,-0.00258704,-0.15975002,-0.12920607,-0.01125466,0.01
 141669,0.00802436,0.00072552,0.00007428,0.00268120,0.00039324,-0.00049
 420,0.00092745,0.00009961,-0.00525780,0.00246240,0.00041912,-0.0001732
 4,-0.00016549,-0.00015859,-0.00016415,-0.00001507,0.00001532,-0.000683
 46,0.00030033,0.00027555,-0.00004125,0.00031178,-0.00027324,0.00030728
 ,-0.00014324,0.00006446,-0.00094524,0.00056624,0.00081152,0.00004648,-
 0.00010357,-0.00003643,0.00006979,0.00000109,-0.00014126,0.00032160,0.
 00063901,0.00005142,0.00003897,-0.00009646,-0.00003715,-0.00083946,-0.
 00127579,-0.00010636,0.00114740,0.00038011,-0.00005618,0.17041105,0.00
 425651,0.00666559,0.00037155,-0.13032267,-0.22815864,-0.01710896,-0.02
 006626,-0.01905215,-0.00196940,0.00369158,-0.00411058,-0.00096337,0.00
 096876,-0.00006140,0.00001565,0.00129455,0.00155947,-0.00053023,-0.001
 94285,0.00007118,0.00024038,0.00032239,0.00028607,-0.00014822,-0.00006
 945,-0.00051457,-0.00001877,0.00049123,-0.00017519,0.00078740,0.000070
 18,0.00014670,0.00000631,0.00033329,0.00091544,-0.00016080,-0.00003537
 ,0.00009713,0.00014514,0.00002042,0.00042606,-0.00002716,-0.00102212,-
 0.00105299,-0.00018436,-0.00011429,-0.00000243,0.00012231,0.00029308,0
 .00013541,0.00000408,-0.00038665,0.00086334,0.00043298,0.14206658,0.24
 180286,0.00029407,0.00053491,0.00212685,-0.01068290,-0.01638212,-0.036
 39702,-0.00204828,-0.00223432,0.00339201,0.00036799,-0.00115583,0.0059
 2441,0.00022496,-0.00004487,-0.00040556,0.00020344,-0.00046230,0.00755
 490,0.00003761,0.00048372,-0.00296430,-0.00040599,0.00012838,-0.000206
 18,0.00017677,-0.00033531,-0.00010932,-0.00068125,0.00018253,-0.000249
 16,0.00009310,0.00007002,-0.00022395,0.00091530,0.00008679,-0.00012396
 ,0.00004974,-0.00010514,-0.00007059,-0.00011037,0.00045311,0.00001778,
 -0.00011958,-0.00018282,0.00050876,-0.00002009,0.00012856,-0.00128494,
 0.00002927,0.00000701,0.00019233,-0.00010255,0.00046126,-0.00378688,0.
 01175846,0.01875070,0.02624547,-0.00003749,-0.00007445,0.00011150,0.00
 032299,-0.00072799,-0.00023701,-0.00057747,-0.00156442,-0.00334991,-0.
 00006595,0.00074305,-0.00037158,-0.00017409,0.00002627,0.00029155,-0.0
 0011089,-0.00005589,-0.00003063,-0.01386207,-0.00176485,0.00487235,-0.
 41455456,0.03896823,-0.00621221,0.00195741,0.00067185,0.00182449,-0.01
 072820,-0.00495554,0.00149835,-0.00012259,-0.00022459,-0.00028224,-0.0
 0001633,0.00009647,-0.00023347,0.00011818,-0.00032118,0.00057504,0.000
 55363,0.00042552,-0.00058239,-0.00001889,-0.00005263,-0.00010398,-0.00
 006283,-0.00000651,0.00002543,-0.00000856,0.00001118,-0.00002728,-0.00
 002601,0.00002137,0.00001690,0.00002554,0.00015112,0.00002028,0.437388
 17,-0.00055491,-0.00018189,0.00038243,0.00034983,0.00001863,-0.0000393
 7,0.00050656,0.00026087,-0.00133413,-0.00073969,0.00002759,0.00022308,
 0.00048529,-0.00029292,0.00014907,-0.00004965,0.00052128,0.00004083,-0
 .00543678,-0.00022604,0.00392799,-0.00218167,-0.03566902,-0.02319125,0
 .00029830,0.00007576,-0.00070410,0.03901847,-0.00364265,0.00045844,-0.
 00030200,-0.00033868,-0.00002470,0.00031639,-0.00019974,0.00015436,-0.
 00018648,0.00002871,-0.00046194,-0.00000436,0.00033655,0.00020905,-0.0
 0005365,-0.00003945,-0.00010454,-0.00004367,-0.00001517,-0.00006532,-0
 .00000637,0.00001882,-0.00007294,-0.00002956,0.00000794,0.00003223,-0.
 00001906,0.00015869,-0.00038430,-0.03136699,0.03915072,-0.00003981,0.0
 0004112,0.00024850,-0.00027300,-0.00011329,0.00027226,-0.00107385,-0.0
 0180487,-0.00558962,-0.00078620,0.00030081,0.00008870,-0.00012610,-0.0
 0010328,0.00037517,-0.00014041,-0.00002250,-0.00006550,-0.03936667,0.0
 0391886,-0.00408195,0.02464926,-0.02596653,-0.04082640,-0.00132541,0.0
 0053921,0.00211444,0.01424218,0.00280767,-0.00110102,0.00049400,-0.000
 38595,0.00068831,0.00015698,0.00014282,-0.00016827,0.00038361,-0.00040
 424,0.00058658,0.00104440,0.00000464,-0.00074434,0.00000676,-0.0000259
 7,-0.00017296,-0.00006690,0.00000352,0.00002528,0.00001244,0.00001417,
 -0.00003622,-0.00002274,0.00001393,-0.00000717,0.00003668,0.00023478,-
 0.00014066,0.00219479,0.02080511,0.04853486\\-0.00001730,0.00000029,-0
 .00000187,0.00001102,-0.00001323,0.00000097,-0.00000258,0.00001034,-0.
 00000359,-0.00001961,-0.00000490,-0.00000183,0.00001205,-0.00001334,-0
 .00000043,-0.00000073,0.00001767,0.00000244,0.00002935,0.00001634,0.00
 004541,-0.00001080,-0.00000310,-0.00004099,-0.00000858,-0.00001308,0.0
 0000300,0.00000069,-0.00000361,0.00000441,-0.00000114,-0.00000305,-0.0
 0000704,0.00000245,0.00000482,-0.00000525,-0.00000092,0.00000169,-0.00
 000094,0.00000486,0.00000174,0.00000006,0.00000216,-0.00000121,0.00000
 135,-0.00000184,0.00000135,-0.00000204,-0.00000165,-0.00000204,-0.0000
 0134,0.00000264,0.00000097,0.00000210,0.00000166,0.00000289,-0.0000010
 9,-0.00000174,-0.00000054,0.00000667\\\@


 SATCHEL PAIGE'S GUIDE TO LONGEVITY

    1.  AVOID FRIED MEATS, WHICH ANGRY UP THE BLOOD.

    2.  IF YOUR STOMACH DISPUTES YOU, LIE DOWN AND PACIFY IT WITH COOL
        THOUGHTS.

    3.  KEEP THE JUICES FLOWING BY JANGLING AROUND GENTLY AS YOU MOVE.

    4.  GO VERY LIGHT ON THE VICES, SUCH AS CARRYING ON IN SOCIETY.
        THE SOCIAL RUMBLE AIN'T RESTFUL.

    5.  AVOID RUNNING AT ALL TIMES.

    6.  DON'T LOOK BACK.  SOMETHING MAY BE GAINING ON YOU.
 Job cpu time:       0 days  3 hours  1 minutes 31.1 seconds.
 Elapsed time:       0 days  0 hours 22 minutes 44.9 seconds.
 File lengths (MBytes):  RWF=    264 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 11:09:54 2021.
